ID 3MI5A STANDARD; PRT; 200 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase alpha chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 4 4 LEU A 9 309 VAL M Protein S 1 FT #SUB 4 4 LEU A 87 387 GLN M Protein S 2 FT #SUB 4 4 LEU A 88 388 TYR M Protein S 5 FT #SUB 5 5 LEU A 86 386 ASP M Protein S 1 FT #SUB 5 5 LEU A 87 387 GLN M Protein A 10 FT #SUB 6 6 PRO A 15 315 TRP M Protein S 4 FT #SUB 6 6 PRO A 203 503 GLN M Protein A 5 FT #SUB 6 6 PRO A 226 526 VAL M Protein B 3 FT #SUB 7 7 GLU A 11 311 ARG M Protein S 7 FT #SUB 7 7 GLU A 15 315 TRP M Protein B 2 FT #SUB 7 7 GLU A 16 316 HIS M Protein S 7 FT #SUB 7 7 GLU A 87 387 GLN M Protein B 1 FT #SUB 7 7 GLU A 203 503 GLN M Protein B 5 FT #SUB 7 7 GLU A 226 526 VAL M Protein A 3 FT #SUB 7 7 GLU A 228 528 ARG M Protein S 3 FT #SUB 8 8 THR A 16 316 HIS M Protein B 1 FT #SUB 8 8 THR A 174 474 LEU M Protein A 4 FT #SUB 8 8 THR A 176 476 THR M Protein S 1 FT #SUB 8 8 THR A 203 503 GLN M Protein A 5 FT #SUB 8 8 THR A 204 504 LEU M Protein S 1 FT #SUB 8 8 THR A 225 525 ILE M Protein S 3 FT #SUB 8 8 THR A 226 526 VAL M Protein A 8 FT #SUB 9 9 PRO A 16 316 HIS M Protein B 3 FT #SUB 9 9 PRO A 176 476 THR M Protein B 3 FT #SUB 9 9 PRO A 195 495 ILE M Protein S 2 FT #SUB 9 9 PRO A 200 500 ALA M Protein S 2 FT #SUB 9 9 PRO A 203 503 GLN M Protein S 1 FT #SUB 9 9 PRO A 204 504 LEU M Protein A 4 FT #SUB 10 10 SER A 16 316 HIS M Protein A 4 FT #SUB 10 10 SER A 17 317 PRO M Protein B 3 FT #SUB 10 10 SER A 174 474 LEU M Protein A 2 FT #SUB 10 10 SER A 175 475 ILE M Protein A 4 FT #SUB 11 11 GLN A 175 475 ILE M Protein B 4 FT #SUB 11 11 GLN A 176 476 THR M Protein A 3 FT #SUB 11 11 GLN A 177 477 GLN M Protein S 4 FT #SUB 11 11 GLN A 179 479 TYR M Protein S 4 FT #SUB 11 11 GLN A 191 491 ILE M Protein S 5 FT #SUB 11 11 GLN A 192 492 VAL M Protein S 2 FT #SUB 11 11 GLN A 194 494 SER M Protein S 1 FT #SUB 11 11 GLN A 195 495 ILE M Protein S 3 FT #SUB 11 11 GLN A 204 504 LEU M Protein S 2 FT #SUB 12 12 THR A 24 324 TYR M Protein S 4 FT #SUB 12 12 THR A 162 462 TYR M Protein B 2 FT #SUB 12 12 THR A 177 477 GLN M Protein A 3 FT #SUB 13 13 ALA A 100 400 TRP M Protein B 1 FT #SUB 13 13 ALA A 162 462 TYR M Protein B 3 FT #SUB 13 13 ALA A 175 475 ILE M Protein A 3 FT #SUB 15 15 PRO A 110 410 HIS M Protein B 1 FT #SUB 16 16 TYR A 100 400 TRP M Protein B 2 FT #SUB 16 16 TYR A 108 408 TYR M Protein S 6 FT #SUB 16 16 TYR A 110 410 HIS M Protein A 10 FT #SUB 16 16 TYR A 112 412 ASN M Protein S 4 FT #SUB 16 16 TYR A 113 413 ASP M Protein S 9 FT #SUB 17 17 VAL A 100 400 TRP M Protein A 4 FT #SUB 18 18 HIS A 110 410 HIS M Protein S 5 FT #SUB 19 19 ILE A 100 400 TRP M Protein S 1 FT #SUB 19 19 ILE A 108 408 TYR M Protein S 2 FT #SUB 19 19 ILE A 109 409 ARG M Protein S 2 FT #SUB 19 19 ILE A 110 410 HIS M Protein S 2 FT #SUB 19 19 ILE A 125 425 GLY M Protein S 1 FT #SUB 19 19 ILE A 126 426 VAL M Protein B 3 FT #SUB 20 20 GLY A 100 400 TRP M Protein B 6 FT #SUB 20 20 GLY A 126 426 VAL M Protein B 2 FT #SUB 21 21 LEU A 98 398 GLU M Protein S 3 FT #SUB 21 21 LEU A 100 400 TRP M Protein S 3 FT #SUB 21 21 LEU A 175 475 ILE M Protein S 1 FT #SUB 25 25 ALA A 111 411 LYS M Protein B 2 FT #SUB 26 26 ALA A 110 410 HIS M Protein A 4 FT #SUB 26 26 ALA A 111 411 LYS M Protein B 4 FT #SUB 27 27 GLY A 111 411 LYS M Protein B 2 FT #SUB 28 28 ASN A 109 409 ARG M Protein S 5 FT #SUB 31 31 ARG A 126 426 VAL M Protein S 1 FT #SUB 31 31 ARG A 128 428 ARG M Protein S 15 FT #SUB 33 33 GLN A 54 354 LEU M Protein S 3 FT #SUB 33 33 GLN A 55 355 GLY M Protein S 6 FT #SUB 33 33 GLN A 128 428 ARG M Protein B 3 FT #SUB 35 35 ILE A 51 351 PHE M Protein S 2 FT #SUB 35 35 ILE A 96 396 LEU M Protein S 1 FT #SUB 57 57 ASP A 29 329 ALA M Protein A 3 FT #SUB 58 58 GLY A 29 329 ALA M Protein B 3 FT #SUB 59 59 ASN A 29 329 ALA M Protein S 1 FT #SUB 63 63 VAL A 30 330 ARG M Protein A 4 FT #SUB 65 65 ASP A 30 330 ARG M Protein S 5 FT #SUB 69 69 GLU A 173 473 LYS M Protein S 6 FT #SUB 71 71 TRP A 44 344 SER M Protein S 2 FT #SUB 71 71 TRP A 47 347 THR M Protein S 9 FT #SUB 71 71 TRP A 48 348 GLY M Protein S 10 FT #SUB 71 71 TRP A 49 349 PRO M Protein S 4 FT #SUB 71 71 TRP A 170 470 ILE M Protein S 4 FT #SUB 78 78 GLU A 1 301 PRO M Protein S 2 FT #SUB 79 79 TYR A 1 301 PRO M Protein B 3 FT #SUB 79 79 TYR A 2 302 ALA M Protein B 3 FT #SUB 79 79 TYR A 43 343 ILE M Protein S 1 FT #SUB 79 79 TYR A 44 344 SER M Protein S 7 FT #SUB 79 79 TYR A 47 347 THR M Protein S 1 FT #SUB 80 80 GLN A 1 301 PRO M Protein S 2 FT #SUB 81 81 ASP A 2 302 ALA M Protein S 3 FT #SUB 81 81 ASP A 48 348 GLY M Protein S 1 FT #SUB 81 81 ASP A 49 349 PRO M Protein B 2 FT #SUB 81 81 ASP A 50 350 ASN M Protein B 6 FT #SUB 83 83 TYR A 50 350 ASN M Protein A 3 FT #SUB 83 83 TYR A 51 351 PHE M Protein S 6 FT #SUB 84 84 ASN A 53 353 HIS M Protein S 1 FT #SUB 92 92 PHE A 49 349 PRO M Protein S 6 FT #SUB 92 92 PHE A 51 351 PHE M Protein S 2 FT #SUB 94 94 ARG A 98 398 GLU M Protein S 8 FT #SUB 99 99 PHE A 110 410 HIS M Protein S 3 FT #SUB 99 99 PHE A 111 411 LYS M Protein S 2 FT #SUB 99 99 PHE A 112 412 ASN M Protein S 6 FT #SUB 114 114 VAL A 43 343 ILE M Protein S 1 FT #SUB 117 117 ALA A 7 307 ARG M Protein S 1 FT #SUB 117 117 ALA A 41 341 GLN M Protein S 1 FT #SUB 117 117 ALA A 237 537 ASN M Protein B 4 FT #SUB 118 118 ALA A 237 537 ASN M Protein A 2 FT #SUB 122 122 MET A 42 342 SER M Protein S 1 FT #SUB 122 122 MET A 44 344 SER M Protein S 1 FT #SUB 125 125 HIS A 44 344 SER M Protein S 4 FT #SUB 127 127 ASN A 44 344 SER M Protein S 4 FT #SUB 127 127 ASN A 45 345 GLU M Protein S 1 FT #SUB 127 127 ASN A 170 470 ILE M Protein S 1 FT #SUB 131 131 PHE A 173 473 LYS M Protein S 3 FT #SUB 131 131 PHE A 175 475 ILE M Protein S 2 FT #SUB 133 133 ARG A 24 324 TYR M Protein A 3 FT #SUB 133 133 ARG A 26 326 THR M Protein A 3 FT #SUB 133 133 ARG A 30 330 ARG M Protein A 8 FT #SUB 134 134 GLY A 24 324 TYR M Protein B 6 FT #SUB 134 134 GLY A 26 326 THR M Protein B 3 FT #SUB 134 134 GLY A 27 327 SER M Protein B 4 FT #SUB 135 135 ILE A 30 330 ARG M Protein S 1 FT #SUB 136 136 ASN A 17 317 PRO M Protein A 3 FT #SUB 136 136 ASN A 18 318 LYS M Protein S 3 FT #SUB 136 136 ASN A 19 319 ALA M Protein S 2 FT #SUB 136 136 ASN A 21 321 THR M Protein S 4 FT #SUB 136 136 ASN A 24 324 TYR M Protein S 2 FT #SUB 136 136 ASN A 194 494 SER M Protein S 2 FT #SUB 137 137 ILE A 13 313 ARG M Protein S 2 FT #SUB 137 137 ILE A 16 316 HIS M Protein S 2 FT #SUB 137 137 ILE A 17 317 PRO M Protein S 1 FT #SUB 138 138 HIS A 11 311 ARG M Protein S 1 FT #SUB 138 138 HIS A 173 473 LYS M Protein S 2 FT #SUB 139 139 LEU A 32 332 PRO M Protein S 1 FT #SUB 140 140 HIS A 11 311 ARG M Protein S 1 FT #SUB 142 142 ARG A 42 342 SER M Protein S 1 FT #SUB 142 142 ARG A 44 344 SER M Protein S 2 FT #SUB 142 142 ARG A 45 345 GLU M Protein S 4 FT #SUB 160 160 LEU A 37 337 VAL M Protein B 1 FT #SUB 160 160 LEU A 39 339 ILE M Protein S 1 FT #SUB 160 160 LEU A 40 340 PRO M Protein S 1 FT #SUB 166 166 ARG A 34 334 GLN M Protein S 3 FT #SUB 189 189 ILE A 30 330 ARG M Protein S 3 FT #SUB 189 189 ILE A 31 331 SER M Protein S 1 FT #SUB 189 189 ILE A 32 332 PRO M Protein B 3 FT #SUB 190 190 GLN A 28 328 ILE M Protein S 4 FT #SUB 190 190 GLN A 29 329 ALA M Protein S 5 FT #SUB 190 190 GLN A 31 331 SER M Protein S 7 FT #SUB 190 190 GLN A 33 333 ARG M Protein S 4 FT #SUB 194 194 GLU A 32 332 PRO M Protein S 7 FT #SUB 194 194 GLU A 33 333 ARG M Protein S 6 FT #SUB 194 194 GLU A 34 334 GLN M Protein S 8 FT #SUB 196 196 VAL A 37 337 VAL M Protein S 1 FT #SUB 197 197 PHE A 32 332 PRO M Protein S 2 FT #SUB 197 197 PHE A 36 336 LEU M Protein A 5 FT #SUB 197 197 PHE A 37 337 VAL M Protein B 4 FT #SUB 198 198 PHE A 37 337 VAL M Protein A 6 FT #SUB 198 198 PHE A 39 339 ILE M Protein S 2 FT #SUB 199 199 ASP A 13 313 ARG M Protein S 9 FT #SUB 199 199 ASP A 37 337 VAL M Protein B 3 FT #SUB 199 199 ASP A 38 338 SER M Protein B 2 FT #SUB 199 199 ASP A 39 339 ILE M Protein B 3 FT #SUB 200 200 PHE A 10 310 ILE M Protein B 1 FT #SUB 200 200 PHE A 39 339 ILE M Protein A 5 FT #SUB 200 200 PHE A 41 341 GLN M Protein B 3 FT #SUB 200 200 PHE A 45 345 GLU M Protein S 8 FT #SUB 200 200 PHE A 171 471 ALA M Protein S 2 FT #SUB 200 200 PHE A 228 528 ARG M Protein B 8 FT #SUB 162 162 GLU A 133 133 ARG B Protein S 8 FT #SUB 163 163 GLN A 61 61 HIS B Protein S 13 FT #SUB 165 165 GLN A 61 61 HIS B Protein S 5 FT #SUB 1 1 PRO A 188 488 MET N Protein S 2 FT #SUB 160 160 LEU A 150 450 ARG N Protein S 1 FT #SUB 199 199 ASP A 153 453 PRO N Protein A 5 FT #SUB 61 61 HIS A 163 163 GLN C Protein S 13 FT #SUB 61 61 HIS A 165 165 GLN C Protein S 5 FT #SUB 133 133 ARG A 162 162 GLU C Protein S 8 FT #SUB 59 59 ASN A 34 334 GLN O Protein S 8 FT #HET 15 15 PRO A 18 539 CAQ M S 4 FT #HET 16 16 TYR A 16 1 BME M S 5 FT #HET 16 16 TYR A 18 539 CAQ M S 3 FT #HET 21 21 LEU A 8 208 GOL A B 3 FT #HET 22 22 ALA A 8 208 GOL A B 5 FT #HET 23 23 LEU A 6 206 GOL A S 3 FT #HET 23 23 LEU A 8 208 GOL A A 9 FT #HET 24 24 GLU A 8 208 GOL A A 4 FT #HET 28 28 ASN A 6 206 GOL A S 2 FT #HET 29 29 PRO A 6 206 GOL A B 5 FT #HET 30 30 THR A 8 208 GOL A S 2 FT #HET 34 34 GLU A 8 208 GOL A S 7 FT #HET 36 36 TRP A 4 204 GOL A S 6 FT #HET 36 36 TRP A 8 208 GOL A S 5 FT #HET 37 37 ASN A 1 201 SO4 A S 4 FT #HET 37 37 ASN A 4 204 GOL A S 3 FT #HET 38 38 ARG A 1 201 SO4 A S 1 FT #HET 38 38 ARG A 5 205 GOL A B 5 FT #HET 39 39 LEU A 5 205 GOL A B 6 FT #HET 40 40 ALA A 5 205 GOL A B 1 FT #HET 41 41 LYS A 5 205 GOL A S 4 FT #HET 84 84 ASN A 5 205 GOL A B 1 FT #HET 85 85 LEU A 5 205 GOL A A 5 FT #HET 87 87 ASN A 5 205 GOL A B 5 FT #HET 90 90 ASN A 5 205 GOL A A 7 FT #HET 95 95 THR A 4 204 GOL A S 4 FT #HET 96 96 ALA A 4 204 GOL A B 7 FT #HET 98 98 THR A 2 202 BME A A 3 FT #HET 98 98 THR A 4 204 GOL A S 1 FT #HET 99 99 PHE A 2 202 BME A A 6 FT #HET 100 100 ASP A 2 202 BME A A 4 FT #HET 103 103 GLU A 4 204 GOL A B 2 FT #HET 104 104 TRP A 4 204 GOL A B 4 FT #HET 105 105 THR A 1 201 SO4 A S 5 FT #HET 105 105 THR A 4 204 GOL A A 9 FT #HET 107 107 HIS A 1 201 SO4 A S 6 FT #HET 152 152 ASN A 7 207 CAQ A B 1 FT #HET 164 164 PRO A 7 207 CAQ A A 4 FT #HET 167 167 ARG A 7 207 CAQ A S 10 FT #HET 168 168 GLU A 7 207 CAQ A S 1 FT #HET 169 169 THR A 3 203 GOL A B 1 FT #HET 171 171 ILE A 3 203 GOL A B 5 FT #HET 171 171 ILE A 7 207 CAQ A S 1 FT #HET 184 184 ARG A 3 203 GOL A A 6 FT #HET 185 185 PHE A 3 203 GOL A A 6 FT #HET 186 186 ASP A 3 203 GOL A A 15 FT #HET 188 188 ARG A 3 203 GOL A S 4 CC SEQUENCE 200 AA (ATOM); CC PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG CC HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV CC PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK CC TAYRFDIRIQ GEGETVFFDF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ATOM PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ************************************************** CC SEQRES LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ATOM LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ************************************************** CC SEQRES AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ATOM AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ************************************************** CC SEQRES ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ATOM ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ************************************************** CC SEQRES CC ATOM CC SQ SEQUENCE 200 AA; MW; CN; PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK TAYRFDIRIQ GEGETVFFDF // ID 3MI5M STANDARD; PRT; 238 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase beta chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 1 301 PRO M 78 78 GLU A Protein S 2 FT #SUB 1 301 PRO M 79 79 TYR A Protein A 3 FT #SUB 1 301 PRO M 80 80 GLN A Protein A 2 FT #SUB 2 302 ALA M 79 79 TYR A Protein A 3 FT #SUB 2 302 ALA M 81 81 ASP A Protein A 3 FT #SUB 7 307 ARG M 117 117 ALA A Protein S 1 FT #SUB 9 309 VAL M 4 4 LEU A Protein S 1 FT #SUB 10 310 ILE M 200 200 PHE A Protein S 1 FT #SUB 11 311 ARG M 7 7 GLU A Protein S 7 FT #SUB 11 311 ARG M 138 138 HIS A Protein S 1 FT #SUB 11 311 ARG M 140 140 HIS A Protein S 1 FT #SUB 13 313 ARG M 137 137 ILE A Protein S 2 FT #SUB 13 313 ARG M 199 199 ASP A Protein S 9 FT #SUB 15 315 TRP M 6 6 PRO A Protein S 4 FT #SUB 15 315 TRP M 7 7 GLU A Protein S 2 FT #SUB 16 316 HIS M 7 7 GLU A Protein S 7 FT #SUB 16 316 HIS M 8 8 THR A Protein S 1 FT #SUB 16 316 HIS M 9 9 PRO A Protein S 3 FT #SUB 16 316 HIS M 10 10 SER A Protein S 4 FT #SUB 16 316 HIS M 137 137 ILE A Protein S 2 FT #SUB 17 317 PRO M 10 10 SER A Protein S 3 FT #SUB 17 317 PRO M 136 136 ASN A Protein S 3 FT #SUB 17 317 PRO M 137 137 ILE A Protein B 1 FT #SUB 18 318 LYS M 136 136 ASN A Protein B 3 FT #SUB 19 319 ALA M 136 136 ASN A Protein B 2 FT #SUB 21 321 THR M 136 136 ASN A Protein S 4 FT #SUB 24 324 TYR M 12 12 THR A Protein S 4 FT #SUB 24 324 TYR M 133 133 ARG A Protein S 3 FT #SUB 24 324 TYR M 134 134 GLY A Protein S 6 FT #SUB 24 324 TYR M 136 136 ASN A Protein S 2 FT #SUB 26 326 THR M 133 133 ARG A Protein S 3 FT #SUB 26 326 THR M 134 134 GLY A Protein A 3 FT #SUB 27 327 SER M 134 134 GLY A Protein A 4 FT #SUB 28 328 ILE M 190 190 GLN A Protein B 4 FT #SUB 29 329 ALA M 57 57 ASP A Protein B 3 FT #SUB 29 329 ALA M 58 58 GLY A Protein B 3 FT #SUB 29 329 ALA M 59 59 ASN A Protein S 1 FT #SUB 29 329 ALA M 190 190 GLN A Protein B 5 FT #SUB 30 330 ARG M 63 63 VAL A Protein S 4 FT #SUB 30 330 ARG M 65 65 ASP A Protein S 5 FT #SUB 30 330 ARG M 133 133 ARG A Protein S 8 FT #SUB 30 330 ARG M 135 135 ILE A Protein B 1 FT #SUB 30 330 ARG M 189 189 ILE A Protein B 3 FT #SUB 31 331 SER M 189 189 ILE A Protein B 1 FT #SUB 31 331 SER M 190 190 GLN A Protein A 7 FT #SUB 32 332 PRO M 139 139 LEU A Protein S 1 FT #SUB 32 332 PRO M 189 189 ILE A Protein A 3 FT #SUB 32 332 PRO M 194 194 GLU A Protein A 7 FT #SUB 32 332 PRO M 197 197 PHE A Protein S 2 FT #SUB 33 333 ARG M 190 190 GLN A Protein S 4 FT #SUB 33 333 ARG M 194 194 GLU A Protein A 6 FT #SUB 34 334 GLN M 166 166 ARG A Protein S 3 FT #SUB 34 334 GLN M 194 194 GLU A Protein A 8 FT #SUB 36 336 LEU M 197 197 PHE A Protein A 5 FT #SUB 37 337 VAL M 160 160 LEU A Protein S 1 FT #SUB 37 337 VAL M 196 196 VAL A Protein S 1 FT #SUB 37 337 VAL M 197 197 PHE A Protein A 4 FT #SUB 37 337 VAL M 198 198 PHE A Protein A 6 FT #SUB 37 337 VAL M 199 199 ASP A Protein B 3 FT #SUB 38 338 SER M 199 199 ASP A Protein B 2 FT #SUB 39 339 ILE M 160 160 LEU A Protein S 1 FT #SUB 39 339 ILE M 198 198 PHE A Protein S 2 FT #SUB 39 339 ILE M 199 199 ASP A Protein A 3 FT #SUB 39 339 ILE M 200 200 PHE A Protein A 5 FT #SUB 40 340 PRO M 160 160 LEU A Protein S 1 FT #SUB 41 341 GLN M 117 117 ALA A Protein B 1 FT #SUB 41 341 GLN M 200 200 PHE A Protein S 3 FT #SUB 42 342 SER M 122 122 MET A Protein S 1 FT #SUB 42 342 SER M 142 142 ARG A Protein S 1 FT #SUB 43 343 ILE M 79 79 TYR A Protein S 1 FT #SUB 43 343 ILE M 114 114 VAL A Protein S 1 FT #SUB 44 344 SER M 71 71 TRP A Protein B 2 FT #SUB 44 344 SER M 79 79 TYR A Protein A 7 FT #SUB 44 344 SER M 122 122 MET A Protein S 1 FT #SUB 44 344 SER M 125 125 HIS A Protein S 4 FT #SUB 44 344 SER M 127 127 ASN A Protein A 4 FT #SUB 44 344 SER M 142 142 ARG A Protein S 2 FT #SUB 45 345 GLU M 127 127 ASN A Protein S 1 FT #SUB 45 345 GLU M 142 142 ARG A Protein S 4 FT #SUB 45 345 GLU M 200 200 PHE A Protein S 8 FT #SUB 47 347 THR M 71 71 TRP A Protein A 9 FT #SUB 47 347 THR M 79 79 TYR A Protein S 1 FT #SUB 48 348 GLY M 71 71 TRP A Protein B 10 FT #SUB 48 348 GLY M 81 81 ASP A Protein B 1 FT #SUB 49 349 PRO M 71 71 TRP A Protein A 4 FT #SUB 49 349 PRO M 81 81 ASP A Protein B 2 FT #SUB 49 349 PRO M 92 92 PHE A Protein S 6 FT #SUB 50 350 ASN M 81 81 ASP A Protein A 6 FT #SUB 50 350 ASN M 83 83 TYR A Protein B 3 FT #SUB 51 351 PHE M 35 35 ILE A Protein S 2 FT #SUB 51 351 PHE M 83 83 TYR A Protein S 6 FT #SUB 51 351 PHE M 92 92 PHE A Protein S 2 FT #SUB 53 353 HIS M 84 84 ASN A Protein S 1 FT #SUB 54 354 LEU M 33 33 GLN A Protein A 3 FT #SUB 55 355 GLY M 33 33 GLN A Protein B 6 FT #SUB 86 386 ASP M 5 5 LEU A Protein B 1 FT #SUB 87 387 GLN M 4 4 LEU A Protein A 2 FT #SUB 87 387 GLN M 5 5 LEU A Protein A 10 FT #SUB 87 387 GLN M 7 7 GLU A Protein S 1 FT #SUB 88 388 TYR M 4 4 LEU A Protein S 5 FT #SUB 96 396 LEU M 35 35 ILE A Protein S 1 FT #SUB 98 398 GLU M 21 21 LEU A Protein S 3 FT #SUB 98 398 GLU M 94 94 ARG A Protein S 8 FT #SUB 100 400 TRP M 13 13 ALA A Protein S 1 FT #SUB 100 400 TRP M 16 16 TYR A Protein S 2 FT #SUB 100 400 TRP M 17 17 VAL A Protein S 4 FT #SUB 100 400 TRP M 19 19 ILE A Protein S 1 FT #SUB 100 400 TRP M 20 20 GLY A Protein S 6 FT #SUB 100 400 TRP M 21 21 LEU A Protein S 3 FT #SUB 108 408 TYR M 16 16 TYR A Protein S 6 FT #SUB 108 408 TYR M 19 19 ILE A Protein S 2 FT #SUB 109 409 ARG M 19 19 ILE A Protein B 2 FT #SUB 109 409 ARG M 28 28 ASN A Protein A 5 FT #SUB 110 410 HIS M 15 15 PRO A Protein S 1 FT #SUB 110 410 HIS M 16 16 TYR A Protein S 10 FT #SUB 110 410 HIS M 18 18 HIS A Protein S 5 FT #SUB 110 410 HIS M 19 19 ILE A Protein S 2 FT #SUB 110 410 HIS M 26 26 ALA A Protein A 4 FT #SUB 110 410 HIS M 99 99 PHE A Protein S 3 FT #SUB 111 411 LYS M 25 25 ALA A Protein S 2 FT #SUB 111 411 LYS M 26 26 ALA A Protein A 4 FT #SUB 111 411 LYS M 27 27 GLY A Protein S 2 FT #SUB 111 411 LYS M 99 99 PHE A Protein S 2 FT #SUB 112 412 ASN M 16 16 TYR A Protein A 4 FT #SUB 112 412 ASN M 99 99 PHE A Protein S 6 FT #SUB 113 413 ASP M 16 16 TYR A Protein A 9 FT #SUB 125 425 GLY M 19 19 ILE A Protein B 1 FT #SUB 126 426 VAL M 19 19 ILE A Protein S 3 FT #SUB 126 426 VAL M 20 20 GLY A Protein S 2 FT #SUB 126 426 VAL M 31 31 ARG A Protein S 1 FT #SUB 128 428 ARG M 31 31 ARG A Protein S 15 FT #SUB 128 428 ARG M 33 33 GLN A Protein S 3 FT #SUB 162 462 TYR M 12 12 THR A Protein S 2 FT #SUB 162 462 TYR M 13 13 ALA A Protein S 3 FT #SUB 170 470 ILE M 71 71 TRP A Protein S 4 FT #SUB 170 470 ILE M 127 127 ASN A Protein S 1 FT #SUB 171 471 ALA M 200 200 PHE A Protein A 2 FT #SUB 173 473 LYS M 69 69 GLU A Protein S 6 FT #SUB 173 473 LYS M 131 131 PHE A Protein S 3 FT #SUB 173 473 LYS M 138 138 HIS A Protein B 2 FT #SUB 174 474 LEU M 8 8 THR A Protein S 4 FT #SUB 174 474 LEU M 10 10 SER A Protein S 2 FT #SUB 175 475 ILE M 10 10 SER A Protein B 4 FT #SUB 175 475 ILE M 11 11 GLN A Protein A 4 FT #SUB 175 475 ILE M 13 13 ALA A Protein S 3 FT #SUB 175 475 ILE M 21 21 LEU A Protein S 1 FT #SUB 175 475 ILE M 131 131 PHE A Protein S 2 FT #SUB 176 476 THR M 8 8 THR A Protein S 1 FT #SUB 176 476 THR M 9 9 PRO A Protein S 3 FT #SUB 176 476 THR M 11 11 GLN A Protein A 3 FT #SUB 177 477 GLN M 11 11 GLN A Protein A 4 FT #SUB 177 477 GLN M 12 12 THR A Protein S 3 FT #SUB 179 479 TYR M 11 11 GLN A Protein S 4 FT #SUB 191 491 ILE M 11 11 GLN A Protein A 5 FT #SUB 192 492 VAL M 11 11 GLN A Protein B 2 FT #SUB 194 494 SER M 11 11 GLN A Protein S 1 FT #SUB 194 494 SER M 136 136 ASN A Protein S 2 FT #SUB 195 495 ILE M 9 9 PRO A Protein S 2 FT #SUB 195 495 ILE M 11 11 GLN A Protein S 3 FT #SUB 200 500 ALA M 9 9 PRO A Protein B 2 FT #SUB 203 503 GLN M 6 6 PRO A Protein S 5 FT #SUB 203 503 GLN M 7 7 GLU A Protein S 5 FT #SUB 203 503 GLN M 8 8 THR A Protein S 5 FT #SUB 203 503 GLN M 9 9 PRO A Protein S 1 FT #SUB 204 504 LEU M 8 8 THR A Protein S 1 FT #SUB 204 504 LEU M 9 9 PRO A Protein S 4 FT #SUB 204 504 LEU M 11 11 GLN A Protein S 2 FT #SUB 225 525 ILE M 8 8 THR A Protein A 3 FT #SUB 226 526 VAL M 6 6 PRO A Protein S 3 FT #SUB 226 526 VAL M 7 7 GLU A Protein B 3 FT #SUB 226 526 VAL M 8 8 THR A Protein B 8 FT #SUB 228 528 ARG M 7 7 GLU A Protein S 3 FT #SUB 228 528 ARG M 200 200 PHE A Protein S 8 FT #SUB 237 537 ASN M 117 117 ALA A Protein S 4 FT #SUB 237 537 ASN M 118 118 ALA A Protein S 2 FT #SUB 34 334 GLN M 59 59 ASN B Protein S 9 FT #SUB 10 310 ILE M 153 453 PRO N Protein S 5 FT #SUB 10 310 ILE M 154 454 ASN N Protein S 1 FT #SUB 14 314 ASN M 23 323 ASP N Protein S 5 FT #SUB 33 333 ARG M 28 328 ILE N Protein B 1 FT #SUB 35 335 ALA M 25 325 LYS N Protein S 3 FT #SUB 35 335 ALA M 28 328 ILE N Protein A 2 FT #SUB 36 336 LEU M 25 325 LYS N Protein B 4 FT #SUB 38 338 SER M 25 325 LYS N Protein A 2 FT #SUB 38 338 SER M 151 451 ASN N Protein S 3 FT #SUB 38 338 SER M 152 452 GLY N Protein S 5 FT #SUB 38 338 SER M 153 453 PRO N Protein S 7 FT #SUB 150 450 ARG M 160 160 LEU C Protein S 2 FT #SUB 153 453 PRO M 199 199 ASP C Protein S 5 FT #SUB 188 488 MET M 1 1 PRO C Protein S 2 FT #SUB 23 323 ASP M 14 314 ASN O Protein S 5 FT #SUB 25 325 LYS M 35 335 ALA O Protein S 3 FT #SUB 25 325 LYS M 36 336 LEU O Protein S 4 FT #SUB 25 325 LYS M 38 338 SER O Protein S 1 FT #SUB 28 328 ILE M 33 333 ARG O Protein S 1 FT #SUB 28 328 ILE M 35 335 ALA O Protein S 1 FT #SUB 151 451 ASN M 38 338 SER O Protein B 3 FT #SUB 152 452 GLY M 38 338 SER O Protein B 6 FT #SUB 153 453 PRO M 10 310 ILE O Protein S 5 FT #SUB 153 453 PRO M 38 338 SER O Protein A 7 FT #SUB 154 454 ASN M 10 310 ILE O Protein S 1 FT #HET 20 320 LEU M 14 10 GOL M S 1 FT #HET 22 322 PRO M 48 539 GOL O S 1 FT #HET 28 328 ILE M 48 539 GOL O S 1 FT #HET 33 333 ARG M 14 10 GOL M A 10 FT #HET 38 338 SER M 31 8 BME N A 2 FT #HET 39 339 ILE M 31 8 BME N B 1 FT #HET 40 340 PRO M 31 8 BME N A 4 FT #HET 56 356 PHE M 19 540 BME M S 6 FT #HET 66 366 ASN M 6 206 GOL A B 1 FT #HET 67 367 PHE M 6 206 GOL A S 2 FT #HET 107 407 ARG M 11 16 GOL M S 10 FT #HET 108 408 TYR M 9 600 FE M S 3 FT #HET 108 408 TYR M 18 539 CAQ M S 5 FT #HET 109 409 ARG M 12 28 BME M S 5 FT #HET 113 413 ASP M 16 1 BME M S 4 FT #HET 118 418 PRO M 11 16 GOL M A 4 FT #HET 119 419 LEU M 11 16 GOL M A 6 FT #HET 121 421 PRO M 12 28 BME M B 1 FT #HET 124 424 GLY M 6 206 GOL A B 4 FT #HET 126 426 VAL M 6 206 GOL A S 2 FT #HET 129 429 CYS M 19 540 BME M A 3 FT #HET 130 430 LEU M 19 540 BME M A 5 FT #HET 132 432 ASP M 17 2 CL M A 3 FT #HET 133 433 SER M 17 2 CL M A 3 FT #HET 147 447 HIS M 16 1 BME M S 6 FT #HET 147 447 HIS M 18 539 CAQ M S 6 FT #HET 148 448 PRO M 16 1 BME M B 1 FT #HET 149 449 TRP M 16 1 BME M A 8 FT #HET 149 449 TRP M 18 539 CAQ M S 8 FT #HET 150 450 ARG M 15 14 GOL M A 23 FT #HET 150 450 ARG M 16 1 BME M A 6 FT #HET 153 453 PRO M 15 14 GOL M B 1 FT #HET 157 457 ARG M 9 600 FE M S 1 FT #HET 157 457 ARG M 18 539 CAQ M S 8 FT #HET 160 460 HIS M 9 600 FE M S 3 FT #HET 160 460 HIS M 18 539 CAQ M S 2 FT #HET 162 462 TYR M 9 600 FE M S 3 FT #HET 162 462 TYR M 18 539 CAQ M S 5 FT #HET 202 502 GLN M 10 12 GOL M B 1 FT #HET 203 503 GLN M 10 12 GOL M B 3 FT #HET 205 505 ILE M 10 12 GOL M B 3 FT #HET 207 507 LYS M 10 12 GOL M A 4 FT #HET 215 515 PRO M 13 30 BME M S 5 FT #HET 222 522 ARG M 10 12 GOL M B 5 FT #HET 223 523 PHE M 10 12 GOL M B 2 FT #HET 224 524 ASP M 10 12 GOL M A 5 CC SEQUENCE 238 AA (ATOM); CC PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD CC HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD CC PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF CC EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ATOM PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ************************************************** CC SEQRES FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ATOM FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ************************************************** CC SEQRES QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ATOM QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ************************************************** CC SEQRES NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ATOM NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ************************************************** CC SEQRES VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ATOM VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ************************************** SQ SEQUENCE 238 AA; MW; CN; PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC // ID 3MI5B STANDARD; PRT; 200 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase alpha chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 61 61 HIS B 163 163 GLN A Protein S 13 FT #SUB 61 61 HIS B 165 165 GLN A Protein S 5 FT #SUB 133 133 ARG B 162 162 GLU A Protein S 8 FT #SUB 59 59 ASN B 34 334 GLN M Protein S 9 FT #SUB 4 4 LEU B 9 309 VAL N Protein S 1 FT #SUB 4 4 LEU B 87 387 GLN N Protein S 2 FT #SUB 4 4 LEU B 88 388 TYR N Protein S 4 FT #SUB 5 5 LEU B 86 386 ASP N Protein S 1 FT #SUB 5 5 LEU B 87 387 GLN N Protein A 10 FT #SUB 5 5 LEU B 89 389 GLY N Protein S 2 FT #SUB 6 6 PRO B 15 315 TRP N Protein S 4 FT #SUB 6 6 PRO B 203 503 GLN N Protein A 6 FT #SUB 6 6 PRO B 226 526 VAL N Protein B 3 FT #SUB 7 7 GLU B 11 311 ARG N Protein S 7 FT #SUB 7 7 GLU B 15 315 TRP N Protein B 4 FT #SUB 7 7 GLU B 16 316 HIS N Protein S 7 FT #SUB 7 7 GLU B 87 387 GLN N Protein B 1 FT #SUB 7 7 GLU B 203 503 GLN N Protein B 4 FT #SUB 7 7 GLU B 226 526 VAL N Protein A 3 FT #SUB 7 7 GLU B 228 528 ARG N Protein S 3 FT #SUB 8 8 THR B 16 316 HIS N Protein B 1 FT #SUB 8 8 THR B 174 474 LEU N Protein A 4 FT #SUB 8 8 THR B 176 476 THR N Protein S 1 FT #SUB 8 8 THR B 203 503 GLN N Protein A 4 FT #SUB 8 8 THR B 204 504 LEU N Protein S 1 FT #SUB 8 8 THR B 225 525 ILE N Protein S 3 FT #SUB 8 8 THR B 226 526 VAL N Protein A 8 FT #SUB 9 9 PRO B 16 316 HIS N Protein B 3 FT #SUB 9 9 PRO B 176 476 THR N Protein B 3 FT #SUB 9 9 PRO B 195 495 ILE N Protein S 2 FT #SUB 9 9 PRO B 200 500 ALA N Protein S 2 FT #SUB 9 9 PRO B 204 504 LEU N Protein A 4 FT #SUB 10 10 SER B 16 316 HIS N Protein A 4 FT #SUB 10 10 SER B 17 317 PRO N Protein B 4 FT #SUB 10 10 SER B 174 474 LEU N Protein A 2 FT #SUB 10 10 SER B 175 475 ILE N Protein A 4 FT #SUB 11 11 GLN B 175 475 ILE N Protein B 4 FT #SUB 11 11 GLN B 176 476 THR N Protein A 3 FT #SUB 11 11 GLN B 177 477 GLN N Protein S 4 FT #SUB 11 11 GLN B 179 479 TYR N Protein S 4 FT #SUB 11 11 GLN B 191 491 ILE N Protein S 5 FT #SUB 11 11 GLN B 192 492 VAL N Protein S 2 FT #SUB 11 11 GLN B 194 494 SER N Protein S 1 FT #SUB 11 11 GLN B 195 495 ILE N Protein S 3 FT #SUB 11 11 GLN B 204 504 LEU N Protein S 2 FT #SUB 12 12 THR B 24 324 TYR N Protein S 5 FT #SUB 12 12 THR B 162 462 TYR N Protein B 2 FT #SUB 12 12 THR B 177 477 GLN N Protein A 3 FT #SUB 13 13 ALA B 100 400 TRP N Protein B 1 FT #SUB 13 13 ALA B 162 462 TYR N Protein B 3 FT #SUB 13 13 ALA B 175 475 ILE N Protein A 2 FT #SUB 15 15 PRO B 110 410 HIS N Protein B 1 FT #SUB 16 16 TYR B 100 400 TRP N Protein B 2 FT #SUB 16 16 TYR B 108 408 TYR N Protein S 6 FT #SUB 16 16 TYR B 110 410 HIS N Protein A 9 FT #SUB 16 16 TYR B 112 412 ASN N Protein S 4 FT #SUB 16 16 TYR B 113 413 ASP N Protein S 9 FT #SUB 17 17 VAL B 100 400 TRP N Protein A 3 FT #SUB 18 18 HIS B 110 410 HIS N Protein S 5 FT #SUB 19 19 ILE B 100 400 TRP N Protein S 1 FT #SUB 19 19 ILE B 108 408 TYR N Protein S 2 FT #SUB 19 19 ILE B 109 409 ARG N Protein S 3 FT #SUB 19 19 ILE B 110 410 HIS N Protein S 2 FT #SUB 19 19 ILE B 125 425 GLY N Protein S 2 FT #SUB 19 19 ILE B 126 426 VAL N Protein B 3 FT #SUB 20 20 GLY B 100 400 TRP N Protein B 7 FT #SUB 20 20 GLY B 126 426 VAL N Protein B 2 FT #SUB 21 21 LEU B 98 398 GLU N Protein S 3 FT #SUB 21 21 LEU B 100 400 TRP N Protein S 3 FT #SUB 21 21 LEU B 175 475 ILE N Protein S 1 FT #SUB 25 25 ALA B 111 411 LYS N Protein B 2 FT #SUB 26 26 ALA B 110 410 HIS N Protein A 4 FT #SUB 26 26 ALA B 111 411 LYS N Protein B 6 FT #SUB 27 27 GLY B 111 411 LYS N Protein B 2 FT #SUB 28 28 ASN B 109 409 ARG N Protein S 7 FT #SUB 31 31 ARG B 126 426 VAL N Protein S 1 FT #SUB 31 31 ARG B 128 428 ARG N Protein S 16 FT #SUB 33 33 GLN B 54 354 LEU N Protein S 3 FT #SUB 33 33 GLN B 55 355 GLY N Protein S 7 FT #SUB 33 33 GLN B 128 428 ARG N Protein B 3 FT #SUB 35 35 ILE B 51 351 PHE N Protein S 2 FT #SUB 35 35 ILE B 96 396 LEU N Protein S 1 FT #SUB 57 57 ASP B 29 329 ALA N Protein A 3 FT #SUB 58 58 GLY B 29 329 ALA N Protein B 3 FT #SUB 59 59 ASN B 29 329 ALA N Protein S 1 FT #SUB 63 63 VAL B 30 330 ARG N Protein S 2 FT #SUB 65 65 ASP B 30 330 ARG N Protein S 5 FT #SUB 69 69 GLU B 173 473 LYS N Protein S 6 FT #SUB 71 71 TRP B 44 344 SER N Protein S 2 FT #SUB 71 71 TRP B 47 347 THR N Protein S 9 FT #SUB 71 71 TRP B 48 348 GLY N Protein S 10 FT #SUB 71 71 TRP B 49 349 PRO N Protein S 4 FT #SUB 71 71 TRP B 170 470 ILE N Protein S 4 FT #SUB 78 78 GLU B 1 301 PRO N Protein S 2 FT #SUB 79 79 TYR B 1 301 PRO N Protein B 3 FT #SUB 79 79 TYR B 2 302 ALA N Protein A 5 FT #SUB 79 79 TYR B 43 343 ILE N Protein S 1 FT #SUB 79 79 TYR B 44 344 SER N Protein S 7 FT #SUB 81 81 ASP B 2 302 ALA N Protein S 3 FT #SUB 81 81 ASP B 48 348 GLY N Protein S 1 FT #SUB 81 81 ASP B 49 349 PRO N Protein B 2 FT #SUB 81 81 ASP B 50 350 ASN N Protein B 6 FT #SUB 83 83 TYR B 50 350 ASN N Protein A 3 FT #SUB 83 83 TYR B 51 351 PHE N Protein S 5 FT #SUB 83 83 TYR B 53 353 HIS N Protein B 1 FT #SUB 84 84 ASN B 53 353 HIS N Protein S 1 FT #SUB 92 92 PHE B 49 349 PRO N Protein S 6 FT #SUB 92 92 PHE B 51 351 PHE N Protein S 2 FT #SUB 94 94 ARG B 98 398 GLU N Protein S 8 FT #SUB 99 99 PHE B 110 410 HIS N Protein S 3 FT #SUB 99 99 PHE B 112 412 ASN N Protein S 6 FT #SUB 114 114 VAL B 43 343 ILE N Protein S 1 FT #SUB 117 117 ALA B 7 307 ARG N Protein S 1 FT #SUB 117 117 ALA B 41 341 GLN N Protein S 1 FT #SUB 117 117 ALA B 237 537 ASN N Protein B 3 FT #SUB 118 118 ALA B 237 537 ASN N Protein A 2 FT #SUB 122 122 MET B 42 342 SER N Protein S 1 FT #SUB 122 122 MET B 44 344 SER N Protein S 1 FT #SUB 125 125 HIS B 44 344 SER N Protein S 4 FT #SUB 127 127 ASN B 44 344 SER N Protein S 4 FT #SUB 127 127 ASN B 45 345 GLU N Protein S 1 FT #SUB 127 127 ASN B 170 470 ILE N Protein S 1 FT #SUB 131 131 PHE B 173 473 LYS N Protein S 2 FT #SUB 131 131 PHE B 175 475 ILE N Protein S 3 FT #SUB 133 133 ARG B 24 324 TYR N Protein A 3 FT #SUB 133 133 ARG B 26 326 THR N Protein S 2 FT #SUB 133 133 ARG B 30 330 ARG N Protein A 8 FT #SUB 134 134 GLY B 24 324 TYR N Protein B 6 FT #SUB 134 134 GLY B 26 326 THR N Protein B 4 FT #SUB 134 134 GLY B 27 327 SER N Protein B 4 FT #SUB 134 134 GLY B 30 330 ARG N Protein B 2 FT #SUB 135 135 ILE B 30 330 ARG N Protein S 1 FT #SUB 136 136 ASN B 17 317 PRO N Protein A 3 FT #SUB 136 136 ASN B 18 318 LYS N Protein S 3 FT #SUB 136 136 ASN B 19 319 ALA N Protein S 1 FT #SUB 136 136 ASN B 21 321 THR N Protein S 4 FT #SUB 136 136 ASN B 24 324 TYR N Protein S 2 FT #SUB 136 136 ASN B 194 494 SER N Protein S 2 FT #SUB 137 137 ILE B 13 313 ARG N Protein S 2 FT #SUB 137 137 ILE B 16 316 HIS N Protein S 2 FT #SUB 137 137 ILE B 17 317 PRO N Protein S 1 FT #SUB 138 138 HIS B 173 473 LYS N Protein S 2 FT #SUB 139 139 LEU B 32 332 PRO N Protein S 1 FT #SUB 140 140 HIS B 11 311 ARG N Protein S 1 FT #SUB 142 142 ARG B 42 342 SER N Protein S 1 FT #SUB 142 142 ARG B 44 344 SER N Protein S 2 FT #SUB 142 142 ARG B 45 345 GLU N Protein S 5 FT #SUB 160 160 LEU B 37 337 VAL N Protein B 1 FT #SUB 160 160 LEU B 39 339 ILE N Protein S 1 FT #SUB 160 160 LEU B 40 340 PRO N Protein S 1 FT #SUB 166 166 ARG B 34 334 GLN N Protein S 10 FT #SUB 189 189 ILE B 30 330 ARG N Protein S 3 FT #SUB 189 189 ILE B 31 331 SER N Protein S 1 FT #SUB 189 189 ILE B 32 332 PRO N Protein B 3 FT #SUB 190 190 GLN B 28 328 ILE N Protein S 4 FT #SUB 190 190 GLN B 29 329 ALA N Protein S 3 FT #SUB 190 190 GLN B 31 331 SER N Protein S 7 FT #SUB 190 190 GLN B 33 333 ARG N Protein S 4 FT #SUB 194 194 GLU B 32 332 PRO N Protein S 5 FT #SUB 194 194 GLU B 33 333 ARG N Protein S 6 FT #SUB 194 194 GLU B 34 334 GLN N Protein S 7 FT #SUB 196 196 VAL B 37 337 VAL N Protein S 1 FT #SUB 197 197 PHE B 32 332 PRO N Protein S 1 FT #SUB 197 197 PHE B 36 336 LEU N Protein A 4 FT #SUB 197 197 PHE B 37 337 VAL N Protein B 4 FT #SUB 198 198 PHE B 37 337 VAL N Protein A 5 FT #SUB 198 198 PHE B 39 339 ILE N Protein S 3 FT #SUB 199 199 ASP B 13 313 ARG N Protein S 10 FT #SUB 199 199 ASP B 37 337 VAL N Protein B 3 FT #SUB 199 199 ASP B 38 338 SER N Protein B 2 FT #SUB 199 199 ASP B 39 339 ILE N Protein B 4 FT #SUB 200 200 PHE B 10 310 ILE N Protein B 1 FT #SUB 200 200 PHE B 39 339 ILE N Protein A 5 FT #SUB 200 200 PHE B 41 341 GLN N Protein B 3 FT #SUB 200 200 PHE B 45 345 GLU N Protein S 8 FT #SUB 200 200 PHE B 171 471 ALA N Protein S 2 FT #SUB 200 200 PHE B 228 528 ARG N Protein B 8 FT #SUB 162 162 GLU B 133 133 ARG C Protein S 5 FT #SUB 163 163 GLN B 61 61 HIS C Protein S 12 FT #SUB 165 165 GLN B 61 61 HIS C Protein S 4 FT #SUB 1 1 PRO B 188 488 MET O Protein S 2 FT #SUB 160 160 LEU B 150 450 ARG O Protein S 1 FT #SUB 199 199 ASP B 153 453 PRO O Protein A 6 FT #SUB 1 1 PRO B 181 481 GLU R Protein A 8 FT #SUB 1 1 PRO B 207 507 LYS R Protein B 3 FT #SUB 1 1 PRO B 208 508 LEU R Protein A 3 FT #SUB 2 2 ILE B 207 507 LYS R Protein S 1 FT #SUB 2 2 ILE B 208 508 LEU R Protein A 4 FT #SUB 2 2 ILE B 209 509 ASP R Protein S 4 FT #SUB 2 2 ILE B 211 511 ASN R Protein A 3 FT #SUB 2 2 ILE B 222 522 ARG R Protein S 1 FT #SUB 4 4 LEU B 211 511 ASN R Protein S 6 FT #HET 2 2 ILE B 95 15 GOL R S 1 FT #HET 15 15 PRO B 33 3 CAQ N S 4 FT #HET 16 16 TYR B 33 3 CAQ N S 4 FT #HET 23 23 LEU B 22 203 GOL B S 2 FT #HET 28 28 ASN B 22 203 GOL B S 2 FT #HET 29 29 PRO B 22 203 GOL B A 4 FT #HET 37 37 ASN B 20 201 SO4 B S 4 FT #HET 38 38 ARG B 26 207 GOL B B 5 FT #HET 39 39 LEU B 26 207 GOL B B 6 FT #HET 40 40 ALA B 26 207 GOL B B 1 FT #HET 41 41 LYS B 26 207 GOL B S 2 FT #HET 56 56 TYR B 23 204 BME B S 4 FT #HET 60 60 GLY B 23 204 BME B B 1 FT #HET 84 84 ASN B 26 207 GOL B B 1 FT #HET 85 85 LEU B 26 207 GOL B B 4 FT #HET 87 87 ASN B 26 207 GOL B B 4 FT #HET 90 90 ASN B 26 207 GOL B A 9 FT #HET 98 98 THR B 21 202 BME B A 4 FT #HET 99 99 PHE B 21 202 BME B A 10 FT #HET 100 100 ASP B 21 202 BME B A 5 FT #HET 105 105 THR B 20 201 SO4 B S 5 FT #HET 107 107 HIS B 20 201 SO4 B S 5 FT #HET 152 152 ASN B 25 206 CAQ B B 1 FT #HET 164 164 PRO B 25 206 CAQ B A 2 FT #HET 167 167 ARG B 25 206 CAQ B S 13 FT #HET 168 168 GLU B 25 206 CAQ B S 1 FT #HET 169 169 THR B 24 205 GOL B B 1 FT #HET 171 171 ILE B 24 205 GOL B B 4 FT #HET 171 171 ILE B 25 206 CAQ B S 1 FT #HET 184 184 ARG B 24 205 GOL B A 7 FT #HET 185 185 PHE B 24 205 GOL B A 6 FT #HET 186 186 ASP B 24 205 GOL B A 18 FT #HET 188 188 ARG B 23 204 BME B S 5 FT #HET 188 188 ARG B 24 205 GOL B S 3 CC SEQUENCE 200 AA (ATOM); CC PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG CC HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV CC PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK CC TAYRFDIRIQ GEGETVFFDF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ATOM PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ************************************************** CC SEQRES LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ATOM LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ************************************************** CC SEQRES AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ATOM AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ************************************************** CC SEQRES ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ATOM ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ************************************************** CC SEQRES CC ATOM CC SQ SEQUENCE 200 AA; MW; CN; PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK TAYRFDIRIQ GEGETVFFDF // ID 3MI5N STANDARD; PRT; 238 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase beta chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 150 450 ARG N 160 160 LEU A Protein S 1 FT #SUB 153 453 PRO N 199 199 ASP A Protein S 5 FT #SUB 188 488 MET N 1 1 PRO A Protein S 2 FT #SUB 23 323 ASP N 14 314 ASN M Protein S 5 FT #SUB 25 325 LYS N 35 335 ALA M Protein S 3 FT #SUB 25 325 LYS N 36 336 LEU M Protein S 4 FT #SUB 25 325 LYS N 38 338 SER M Protein S 2 FT #SUB 28 328 ILE N 33 333 ARG M Protein S 1 FT #SUB 28 328 ILE N 35 335 ALA M Protein S 2 FT #SUB 151 451 ASN N 38 338 SER M Protein B 3 FT #SUB 152 452 GLY N 38 338 SER M Protein B 5 FT #SUB 153 453 PRO N 10 310 ILE M Protein S 5 FT #SUB 153 453 PRO N 38 338 SER M Protein A 7 FT #SUB 154 454 ASN N 10 310 ILE M Protein S 1 FT #SUB 1 301 PRO N 78 78 GLU B Protein S 2 FT #SUB 1 301 PRO N 79 79 TYR B Protein A 3 FT #SUB 2 302 ALA N 79 79 TYR B Protein A 5 FT #SUB 2 302 ALA N 81 81 ASP B Protein A 3 FT #SUB 7 307 ARG N 117 117 ALA B Protein S 1 FT #SUB 9 309 VAL N 4 4 LEU B Protein S 1 FT #SUB 10 310 ILE N 200 200 PHE B Protein S 1 FT #SUB 11 311 ARG N 7 7 GLU B Protein S 7 FT #SUB 11 311 ARG N 140 140 HIS B Protein S 1 FT #SUB 13 313 ARG N 137 137 ILE B Protein S 2 FT #SUB 13 313 ARG N 199 199 ASP B Protein S 10 FT #SUB 15 315 TRP N 6 6 PRO B Protein S 4 FT #SUB 15 315 TRP N 7 7 GLU B Protein S 4 FT #SUB 16 316 HIS N 7 7 GLU B Protein S 7 FT #SUB 16 316 HIS N 8 8 THR B Protein S 1 FT #SUB 16 316 HIS N 9 9 PRO B Protein S 3 FT #SUB 16 316 HIS N 10 10 SER B Protein S 4 FT #SUB 16 316 HIS N 137 137 ILE B Protein S 2 FT #SUB 17 317 PRO N 10 10 SER B Protein S 4 FT #SUB 17 317 PRO N 136 136 ASN B Protein S 3 FT #SUB 17 317 PRO N 137 137 ILE B Protein B 1 FT #SUB 18 318 LYS N 136 136 ASN B Protein B 3 FT #SUB 19 319 ALA N 136 136 ASN B Protein B 1 FT #SUB 21 321 THR N 136 136 ASN B Protein S 4 FT #SUB 24 324 TYR N 12 12 THR B Protein S 5 FT #SUB 24 324 TYR N 133 133 ARG B Protein S 3 FT #SUB 24 324 TYR N 134 134 GLY B Protein S 6 FT #SUB 24 324 TYR N 136 136 ASN B Protein S 2 FT #SUB 26 326 THR N 133 133 ARG B Protein S 2 FT #SUB 26 326 THR N 134 134 GLY B Protein A 4 FT #SUB 27 327 SER N 134 134 GLY B Protein A 4 FT #SUB 28 328 ILE N 190 190 GLN B Protein B 4 FT #SUB 29 329 ALA N 57 57 ASP B Protein B 3 FT #SUB 29 329 ALA N 58 58 GLY B Protein B 3 FT #SUB 29 329 ALA N 59 59 ASN B Protein S 1 FT #SUB 29 329 ALA N 190 190 GLN B Protein B 3 FT #SUB 30 330 ARG N 63 63 VAL B Protein S 2 FT #SUB 30 330 ARG N 65 65 ASP B Protein S 5 FT #SUB 30 330 ARG N 133 133 ARG B Protein S 8 FT #SUB 30 330 ARG N 134 134 GLY B Protein A 2 FT #SUB 30 330 ARG N 135 135 ILE B Protein B 1 FT #SUB 30 330 ARG N 189 189 ILE B Protein B 3 FT #SUB 31 331 SER N 189 189 ILE B Protein B 1 FT #SUB 31 331 SER N 190 190 GLN B Protein A 7 FT #SUB 32 332 PRO N 139 139 LEU B Protein S 1 FT #SUB 32 332 PRO N 189 189 ILE B Protein A 3 FT #SUB 32 332 PRO N 194 194 GLU B Protein A 5 FT #SUB 32 332 PRO N 197 197 PHE B Protein S 1 FT #SUB 33 333 ARG N 190 190 GLN B Protein S 4 FT #SUB 33 333 ARG N 194 194 GLU B Protein A 6 FT #SUB 34 334 GLN N 166 166 ARG B Protein S 10 FT #SUB 34 334 GLN N 194 194 GLU B Protein A 7 FT #SUB 36 336 LEU N 197 197 PHE B Protein A 4 FT #SUB 37 337 VAL N 160 160 LEU B Protein S 1 FT #SUB 37 337 VAL N 196 196 VAL B Protein S 1 FT #SUB 37 337 VAL N 197 197 PHE B Protein A 4 FT #SUB 37 337 VAL N 198 198 PHE B Protein B 5 FT #SUB 37 337 VAL N 199 199 ASP B Protein B 3 FT #SUB 38 338 SER N 199 199 ASP B Protein B 2 FT #SUB 39 339 ILE N 160 160 LEU B Protein S 1 FT #SUB 39 339 ILE N 198 198 PHE B Protein S 3 FT #SUB 39 339 ILE N 199 199 ASP B Protein A 4 FT #SUB 39 339 ILE N 200 200 PHE B Protein A 5 FT #SUB 40 340 PRO N 160 160 LEU B Protein S 1 FT #SUB 41 341 GLN N 117 117 ALA B Protein B 1 FT #SUB 41 341 GLN N 200 200 PHE B Protein S 3 FT #SUB 42 342 SER N 122 122 MET B Protein S 1 FT #SUB 42 342 SER N 142 142 ARG B Protein S 1 FT #SUB 43 343 ILE N 79 79 TYR B Protein S 1 FT #SUB 43 343 ILE N 114 114 VAL B Protein S 1 FT #SUB 44 344 SER N 71 71 TRP B Protein B 2 FT #SUB 44 344 SER N 79 79 TYR B Protein A 7 FT #SUB 44 344 SER N 122 122 MET B Protein S 1 FT #SUB 44 344 SER N 125 125 HIS B Protein S 4 FT #SUB 44 344 SER N 127 127 ASN B Protein A 4 FT #SUB 44 344 SER N 142 142 ARG B Protein S 2 FT #SUB 45 345 GLU N 127 127 ASN B Protein S 1 FT #SUB 45 345 GLU N 142 142 ARG B Protein S 5 FT #SUB 45 345 GLU N 200 200 PHE B Protein S 8 FT #SUB 47 347 THR N 71 71 TRP B Protein A 9 FT #SUB 48 348 GLY N 71 71 TRP B Protein B 10 FT #SUB 48 348 GLY N 81 81 ASP B Protein B 1 FT #SUB 49 349 PRO N 71 71 TRP B Protein A 4 FT #SUB 49 349 PRO N 81 81 ASP B Protein B 2 FT #SUB 49 349 PRO N 92 92 PHE B Protein S 6 FT #SUB 50 350 ASN N 81 81 ASP B Protein A 6 FT #SUB 50 350 ASN N 83 83 TYR B Protein B 3 FT #SUB 51 351 PHE N 35 35 ILE B Protein S 2 FT #SUB 51 351 PHE N 83 83 TYR B Protein S 5 FT #SUB 51 351 PHE N 92 92 PHE B Protein S 2 FT #SUB 53 353 HIS N 83 83 TYR B Protein B 1 FT #SUB 53 353 HIS N 84 84 ASN B Protein S 1 FT #SUB 54 354 LEU N 33 33 GLN B Protein A 3 FT #SUB 55 355 GLY N 33 33 GLN B Protein B 7 FT #SUB 86 386 ASP N 5 5 LEU B Protein B 1 FT #SUB 87 387 GLN N 4 4 LEU B Protein A 2 FT #SUB 87 387 GLN N 5 5 LEU B Protein A 10 FT #SUB 87 387 GLN N 7 7 GLU B Protein S 1 FT #SUB 88 388 TYR N 4 4 LEU B Protein S 4 FT #SUB 89 389 GLY N 5 5 LEU B Protein B 2 FT #SUB 96 396 LEU N 35 35 ILE B Protein S 1 FT #SUB 98 398 GLU N 21 21 LEU B Protein S 3 FT #SUB 98 398 GLU N 94 94 ARG B Protein S 8 FT #SUB 100 400 TRP N 13 13 ALA B Protein S 1 FT #SUB 100 400 TRP N 16 16 TYR B Protein S 2 FT #SUB 100 400 TRP N 17 17 VAL B Protein S 3 FT #SUB 100 400 TRP N 19 19 ILE B Protein S 1 FT #SUB 100 400 TRP N 20 20 GLY B Protein S 7 FT #SUB 100 400 TRP N 21 21 LEU B Protein S 3 FT #SUB 108 408 TYR N 16 16 TYR B Protein S 6 FT #SUB 108 408 TYR N 19 19 ILE B Protein S 2 FT #SUB 109 409 ARG N 19 19 ILE B Protein B 3 FT #SUB 109 409 ARG N 28 28 ASN B Protein A 7 FT #SUB 110 410 HIS N 15 15 PRO B Protein S 1 FT #SUB 110 410 HIS N 16 16 TYR B Protein S 9 FT #SUB 110 410 HIS N 18 18 HIS B Protein S 5 FT #SUB 110 410 HIS N 19 19 ILE B Protein S 2 FT #SUB 110 410 HIS N 26 26 ALA B Protein A 4 FT #SUB 110 410 HIS N 99 99 PHE B Protein S 3 FT #SUB 111 411 LYS N 25 25 ALA B Protein S 2 FT #SUB 111 411 LYS N 26 26 ALA B Protein A 6 FT #SUB 111 411 LYS N 27 27 GLY B Protein S 2 FT #SUB 112 412 ASN N 16 16 TYR B Protein A 4 FT #SUB 112 412 ASN N 99 99 PHE B Protein S 6 FT #SUB 113 413 ASP N 16 16 TYR B Protein A 9 FT #SUB 125 425 GLY N 19 19 ILE B Protein B 2 FT #SUB 126 426 VAL N 19 19 ILE B Protein S 3 FT #SUB 126 426 VAL N 20 20 GLY B Protein S 2 FT #SUB 126 426 VAL N 31 31 ARG B Protein S 1 FT #SUB 128 428 ARG N 31 31 ARG B Protein S 16 FT #SUB 128 428 ARG N 33 33 GLN B Protein S 3 FT #SUB 162 462 TYR N 12 12 THR B Protein S 2 FT #SUB 162 462 TYR N 13 13 ALA B Protein S 3 FT #SUB 170 470 ILE N 71 71 TRP B Protein S 4 FT #SUB 170 470 ILE N 127 127 ASN B Protein S 1 FT #SUB 171 471 ALA N 200 200 PHE B Protein A 2 FT #SUB 173 473 LYS N 69 69 GLU B Protein S 6 FT #SUB 173 473 LYS N 131 131 PHE B Protein S 2 FT #SUB 173 473 LYS N 138 138 HIS B Protein B 2 FT #SUB 174 474 LEU N 8 8 THR B Protein S 4 FT #SUB 174 474 LEU N 10 10 SER B Protein S 2 FT #SUB 175 475 ILE N 10 10 SER B Protein B 4 FT #SUB 175 475 ILE N 11 11 GLN B Protein A 4 FT #SUB 175 475 ILE N 13 13 ALA B Protein S 2 FT #SUB 175 475 ILE N 21 21 LEU B Protein S 1 FT #SUB 175 475 ILE N 131 131 PHE B Protein S 3 FT #SUB 176 476 THR N 8 8 THR B Protein S 1 FT #SUB 176 476 THR N 9 9 PRO B Protein S 3 FT #SUB 176 476 THR N 11 11 GLN B Protein A 3 FT #SUB 177 477 GLN N 11 11 GLN B Protein A 4 FT #SUB 177 477 GLN N 12 12 THR B Protein S 3 FT #SUB 179 479 TYR N 11 11 GLN B Protein S 4 FT #SUB 191 491 ILE N 11 11 GLN B Protein A 5 FT #SUB 192 492 VAL N 11 11 GLN B Protein B 2 FT #SUB 194 494 SER N 11 11 GLN B Protein S 1 FT #SUB 194 494 SER N 136 136 ASN B Protein S 2 FT #SUB 195 495 ILE N 9 9 PRO B Protein S 2 FT #SUB 195 495 ILE N 11 11 GLN B Protein S 3 FT #SUB 200 500 ALA N 9 9 PRO B Protein B 2 FT #SUB 203 503 GLN N 6 6 PRO B Protein S 6 FT #SUB 203 503 GLN N 7 7 GLU B Protein S 4 FT #SUB 203 503 GLN N 8 8 THR B Protein S 4 FT #SUB 204 504 LEU N 8 8 THR B Protein S 1 FT #SUB 204 504 LEU N 9 9 PRO B Protein S 4 FT #SUB 204 504 LEU N 11 11 GLN B Protein S 2 FT #SUB 225 525 ILE N 8 8 THR B Protein A 3 FT #SUB 226 526 VAL N 6 6 PRO B Protein S 3 FT #SUB 226 526 VAL N 7 7 GLU B Protein B 3 FT #SUB 226 526 VAL N 8 8 THR B Protein B 8 FT #SUB 228 528 ARG N 7 7 GLU B Protein S 3 FT #SUB 228 528 ARG N 200 200 PHE B Protein S 8 FT #SUB 237 537 ASN N 117 117 ALA B Protein S 3 FT #SUB 237 537 ASN N 118 118 ALA B Protein S 2 FT #SUB 34 334 GLN N 59 59 ASN C Protein S 9 FT #SUB 10 310 ILE N 153 453 PRO O Protein S 5 FT #SUB 10 310 ILE N 154 454 ASN O Protein S 1 FT #SUB 14 314 ASN N 23 323 ASP O Protein S 5 FT #SUB 33 333 ARG N 28 328 ILE O Protein B 1 FT #SUB 35 335 ALA N 25 325 LYS O Protein S 3 FT #SUB 35 335 ALA N 28 328 ILE O Protein A 2 FT #SUB 36 336 LEU N 25 325 LYS O Protein B 4 FT #SUB 38 338 SER N 25 325 LYS O Protein S 1 FT #SUB 38 338 SER N 151 451 ASN O Protein S 3 FT #SUB 38 338 SER N 152 452 GLY O Protein S 5 FT #SUB 38 338 SER N 153 453 PRO O Protein S 7 FT #SUB 9 309 VAL N 211 511 ASN R Protein S 1 FT #SUB 88 388 TYR N 211 511 ASN R Protein S 2 FT #SUB 231 531 ARG N 211 511 ASN R Protein S 2 FT #SUB 231 531 ARG N 212 512 ASN R Protein S 3 FT #SUB 231 531 ARG N 213 513 ALA R Protein S 2 FT #SUB 231 531 ARG N 214 514 ASN R Protein S 1 FT #SUB 234 534 HIS N 79 379 ILE R Protein S 3 FT #SUB 234 534 HIS N 212 512 ASN R Protein S 8 FT #SUB 234 534 HIS N 214 514 ASN R Protein A 6 FT #SUB 235 535 PHE N 61 361 HIS R Protein S 3 FT #SUB 235 535 PHE N 79 379 ILE R Protein S 2 FT #SUB 235 535 PHE N 138 438 SER R Protein S 2 FT #SUB 235 535 PHE N 139 439 PHE R Protein S 1 FT #SUB 235 535 PHE N 140 440 ARG R Protein A 9 FT #SUB 235 535 PHE N 214 514 ASN R Protein B 2 FT #SUB 238 538 CYS N 65 365 LEU R Protein B 1 FT #SUB 238 538 CYS N 140 440 ARG R Protein A 10 FT #HET 7 307 ARG N 29 18 BME N S 4 FT #HET 20 320 LEU N 14 10 GOL M S 1 FT #HET 22 322 PRO N 14 10 GOL M S 4 FT #HET 28 328 ILE N 14 10 GOL M S 4 FT #HET 33 333 ARG N 14 10 GOL M S 1 FT #HET 33 333 ARG N 30 26 GOL N A 9 FT #HET 38 338 SER N 46 9 BME O B 1 FT #HET 39 339 ILE N 46 9 BME O B 1 FT #HET 40 340 PRO N 46 9 BME O A 7 FT #HET 41 341 GLN N 29 18 BME N A 6 FT #HET 66 366 ASN N 22 203 GOL B A 3 FT #HET 67 367 PHE N 22 203 GOL B S 3 FT #HET 108 408 TYR N 27 600 FE N S 3 FT #HET 108 408 TYR N 33 3 CAQ N S 5 FT #HET 109 409 ARG N 28 11 SO4 N S 8 FT #HET 119 419 LEU N 28 11 SO4 N S 2 FT #HET 121 421 PRO N 28 11 SO4 N B 3 FT #HET 124 424 GLY N 22 203 GOL B B 2 FT #HET 126 426 VAL N 22 203 GOL B S 3 FT #HET 147 447 HIS N 33 3 CAQ N S 4 FT #HET 149 449 TRP N 33 3 CAQ N S 8 FT #HET 149 449 TRP N 34 539 CL N A 3 FT #HET 150 450 ARG N 31 8 BME N S 3 FT #HET 150 450 ARG N 34 539 CL N A 4 FT #HET 153 453 PRO N 31 8 BME N B 1 FT #HET 157 457 ARG N 27 600 FE N S 1 FT #HET 157 457 ARG N 33 3 CAQ N S 8 FT #HET 160 460 HIS N 27 600 FE N S 3 FT #HET 160 460 HIS N 33 3 CAQ N S 2 FT #HET 162 462 TYR N 27 600 FE N S 3 FT #HET 162 462 TYR N 33 3 CAQ N S 4 FT #HET 202 502 GLN N 32 1 GOL N B 1 FT #HET 203 503 GLN N 32 1 GOL N A 8 FT #HET 205 505 ILE N 32 1 GOL N B 7 FT #HET 207 507 LYS N 32 1 GOL N S 3 FT #HET 222 522 ARG N 32 1 GOL N B 5 FT #HET 223 523 PHE N 32 1 GOL N A 6 FT #HET 224 524 ASP N 32 1 GOL N A 13 FT #HET 231 531 ARG N 29 18 BME N S 1 CC SEQUENCE 238 AA (ATOM); CC PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD CC HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD CC PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF CC EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ATOM PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ************************************************** CC SEQRES FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ATOM FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ************************************************** CC SEQRES QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ATOM QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ************************************************** CC SEQRES NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ATOM NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ************************************************** CC SEQRES VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ATOM VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ************************************** SQ SEQUENCE 238 AA; MW; CN; PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC // ID 3MI5C STANDARD; PRT; 200 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase alpha chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 162 162 GLU C 133 133 ARG A Protein S 8 FT #SUB 163 163 GLN C 61 61 HIS A Protein S 13 FT #SUB 165 165 GLN C 61 61 HIS A Protein S 5 FT #SUB 1 1 PRO C 188 488 MET M Protein S 2 FT #SUB 160 160 LEU C 150 450 ARG M Protein S 2 FT #SUB 199 199 ASP C 153 453 PRO M Protein S 5 FT #SUB 61 61 HIS C 163 163 GLN B Protein S 12 FT #SUB 61 61 HIS C 165 165 GLN B Protein S 4 FT #SUB 133 133 ARG C 162 162 GLU B Protein S 5 FT #SUB 59 59 ASN C 34 334 GLN N Protein S 9 FT #SUB 4 4 LEU C 9 309 VAL O Protein S 1 FT #SUB 4 4 LEU C 87 387 GLN O Protein S 2 FT #SUB 4 4 LEU C 88 388 TYR O Protein S 5 FT #SUB 5 5 LEU C 86 386 ASP O Protein S 1 FT #SUB 5 5 LEU C 87 387 GLN O Protein A 10 FT #SUB 6 6 PRO C 15 315 TRP O Protein S 4 FT #SUB 6 6 PRO C 203 503 GLN O Protein A 6 FT #SUB 6 6 PRO C 226 526 VAL O Protein B 3 FT #SUB 7 7 GLU C 11 311 ARG O Protein S 7 FT #SUB 7 7 GLU C 15 315 TRP O Protein B 3 FT #SUB 7 7 GLU C 16 316 HIS O Protein S 7 FT #SUB 7 7 GLU C 87 387 GLN O Protein B 1 FT #SUB 7 7 GLU C 203 503 GLN O Protein B 4 FT #SUB 7 7 GLU C 226 526 VAL O Protein A 3 FT #SUB 7 7 GLU C 228 528 ARG O Protein S 3 FT #SUB 8 8 THR C 16 316 HIS O Protein B 1 FT #SUB 8 8 THR C 174 474 LEU O Protein A 4 FT #SUB 8 8 THR C 203 503 GLN O Protein A 4 FT #SUB 8 8 THR C 204 504 LEU O Protein S 1 FT #SUB 8 8 THR C 225 525 ILE O Protein S 3 FT #SUB 8 8 THR C 226 526 VAL O Protein A 8 FT #SUB 9 9 PRO C 16 316 HIS O Protein B 3 FT #SUB 9 9 PRO C 176 476 THR O Protein B 3 FT #SUB 9 9 PRO C 195 495 ILE O Protein S 2 FT #SUB 9 9 PRO C 200 500 ALA O Protein S 2 FT #SUB 9 9 PRO C 203 503 GLN O Protein S 1 FT #SUB 9 9 PRO C 204 504 LEU O Protein A 5 FT #SUB 10 10 SER C 16 316 HIS O Protein A 4 FT #SUB 10 10 SER C 17 317 PRO O Protein B 3 FT #SUB 10 10 SER C 174 474 LEU O Protein A 2 FT #SUB 10 10 SER C 175 475 ILE O Protein A 4 FT #SUB 11 11 GLN C 175 475 ILE O Protein B 4 FT #SUB 11 11 GLN C 176 476 THR O Protein A 3 FT #SUB 11 11 GLN C 177 477 GLN O Protein S 4 FT #SUB 11 11 GLN C 179 479 TYR O Protein S 4 FT #SUB 11 11 GLN C 191 491 ILE O Protein S 5 FT #SUB 11 11 GLN C 192 492 VAL O Protein S 2 FT #SUB 11 11 GLN C 194 494 SER O Protein S 1 FT #SUB 11 11 GLN C 195 495 ILE O Protein S 3 FT #SUB 11 11 GLN C 204 504 LEU O Protein S 2 FT #SUB 12 12 THR C 24 324 TYR O Protein S 3 FT #SUB 12 12 THR C 162 462 TYR O Protein B 2 FT #SUB 12 12 THR C 177 477 GLN O Protein A 4 FT #SUB 13 13 ALA C 100 400 TRP O Protein B 1 FT #SUB 13 13 ALA C 162 462 TYR O Protein B 3 FT #SUB 13 13 ALA C 175 475 ILE O Protein A 3 FT #SUB 15 15 PRO C 110 410 HIS O Protein B 1 FT #SUB 16 16 TYR C 100 400 TRP O Protein B 2 FT #SUB 16 16 TYR C 108 408 TYR O Protein S 6 FT #SUB 16 16 TYR C 110 410 HIS O Protein A 8 FT #SUB 16 16 TYR C 112 412 ASN O Protein S 4 FT #SUB 16 16 TYR C 113 413 ASP O Protein S 7 FT #SUB 17 17 VAL C 100 400 TRP O Protein A 3 FT #SUB 18 18 HIS C 110 410 HIS O Protein S 5 FT #SUB 19 19 ILE C 100 400 TRP O Protein S 1 FT #SUB 19 19 ILE C 108 408 TYR O Protein S 2 FT #SUB 19 19 ILE C 109 409 ARG O Protein S 2 FT #SUB 19 19 ILE C 110 410 HIS O Protein S 3 FT #SUB 19 19 ILE C 125 425 GLY O Protein S 2 FT #SUB 19 19 ILE C 126 426 VAL O Protein B 3 FT #SUB 20 20 GLY C 100 400 TRP O Protein B 7 FT #SUB 20 20 GLY C 126 426 VAL O Protein B 2 FT #SUB 21 21 LEU C 98 398 GLU O Protein S 3 FT #SUB 21 21 LEU C 100 400 TRP O Protein S 1 FT #SUB 21 21 LEU C 175 475 ILE O Protein S 1 FT #SUB 25 25 ALA C 111 411 LYS O Protein B 3 FT #SUB 26 26 ALA C 110 410 HIS O Protein A 3 FT #SUB 26 26 ALA C 111 411 LYS O Protein B 4 FT #SUB 27 27 GLY C 111 411 LYS O Protein B 1 FT #SUB 28 28 ASN C 109 409 ARG O Protein S 8 FT #SUB 31 31 ARG C 126 426 VAL O Protein S 1 FT #SUB 31 31 ARG C 128 428 ARG O Protein S 15 FT #SUB 33 33 GLN C 54 354 LEU O Protein S 2 FT #SUB 33 33 GLN C 55 355 GLY O Protein S 5 FT #SUB 33 33 GLN C 128 428 ARG O Protein B 3 FT #SUB 35 35 ILE C 51 351 PHE O Protein S 2 FT #SUB 35 35 ILE C 96 396 LEU O Protein S 1 FT #SUB 57 57 ASP C 29 329 ALA O Protein A 3 FT #SUB 58 58 GLY C 29 329 ALA O Protein B 3 FT #SUB 59 59 ASN C 29 329 ALA O Protein S 1 FT #SUB 63 63 VAL C 30 330 ARG O Protein A 6 FT #SUB 65 65 ASP C 30 330 ARG O Protein S 5 FT #SUB 69 69 GLU C 173 473 LYS O Protein S 6 FT #SUB 71 71 TRP C 44 344 SER O Protein S 2 FT #SUB 71 71 TRP C 47 347 THR O Protein S 9 FT #SUB 71 71 TRP C 48 348 GLY O Protein S 9 FT #SUB 71 71 TRP C 49 349 PRO O Protein S 4 FT #SUB 71 71 TRP C 170 470 ILE O Protein S 4 FT #SUB 78 78 GLU C 1 301 PRO O Protein S 3 FT #SUB 79 79 TYR C 1 301 PRO O Protein B 3 FT #SUB 79 79 TYR C 2 302 ALA O Protein A 4 FT #SUB 79 79 TYR C 44 344 SER O Protein S 6 FT #SUB 81 81 ASP C 1 301 PRO O Protein S 1 FT #SUB 81 81 ASP C 2 302 ALA O Protein S 5 FT #SUB 81 81 ASP C 48 348 GLY O Protein S 1 FT #SUB 81 81 ASP C 49 349 PRO O Protein B 2 FT #SUB 81 81 ASP C 50 350 ASN O Protein B 6 FT #SUB 82 82 ALA C 50 350 ASN O Protein B 1 FT #SUB 83 83 TYR C 50 350 ASN O Protein A 3 FT #SUB 83 83 TYR C 51 351 PHE O Protein S 6 FT #SUB 83 83 TYR C 53 353 HIS O Protein B 2 FT #SUB 92 92 PHE C 49 349 PRO O Protein S 7 FT #SUB 92 92 PHE C 51 351 PHE O Protein S 2 FT #SUB 94 94 ARG C 98 398 GLU O Protein S 9 FT #SUB 99 99 PHE C 110 410 HIS O Protein S 2 FT #SUB 99 99 PHE C 111 411 LYS O Protein S 1 FT #SUB 99 99 PHE C 112 412 ASN O Protein S 6 FT #SUB 114 114 VAL C 43 343 ILE O Protein S 1 FT #SUB 115 115 ASN C 43 343 ILE O Protein B 1 FT #SUB 117 117 ALA C 7 307 ARG O Protein S 1 FT #SUB 117 117 ALA C 41 341 GLN O Protein S 1 FT #SUB 117 117 ALA C 237 537 ASN O Protein B 3 FT #SUB 118 118 ALA C 237 537 ASN O Protein A 2 FT #SUB 122 122 MET C 42 342 SER O Protein S 3 FT #SUB 122 122 MET C 44 344 SER O Protein S 1 FT #SUB 125 125 HIS C 44 344 SER O Protein S 4 FT #SUB 127 127 ASN C 44 344 SER O Protein S 4 FT #SUB 127 127 ASN C 45 345 GLU O Protein S 1 FT #SUB 127 127 ASN C 170 470 ILE O Protein S 1 FT #SUB 131 131 PHE C 173 473 LYS O Protein S 2 FT #SUB 131 131 PHE C 175 475 ILE O Protein S 2 FT #SUB 133 133 ARG C 24 324 TYR O Protein A 3 FT #SUB 133 133 ARG C 26 326 THR O Protein S 2 FT #SUB 133 133 ARG C 30 330 ARG O Protein A 10 FT #SUB 134 134 GLY C 24 324 TYR O Protein B 6 FT #SUB 134 134 GLY C 26 326 THR O Protein B 3 FT #SUB 134 134 GLY C 27 327 SER O Protein B 3 FT #SUB 134 134 GLY C 30 330 ARG O Protein B 2 FT #SUB 135 135 ILE C 30 330 ARG O Protein S 1 FT #SUB 136 136 ASN C 17 317 PRO O Protein A 3 FT #SUB 136 136 ASN C 18 318 LYS O Protein S 3 FT #SUB 136 136 ASN C 19 319 ALA O Protein S 2 FT #SUB 136 136 ASN C 21 321 THR O Protein S 4 FT #SUB 136 136 ASN C 24 324 TYR O Protein S 2 FT #SUB 136 136 ASN C 194 494 SER O Protein S 4 FT #SUB 137 137 ILE C 13 313 ARG O Protein S 2 FT #SUB 137 137 ILE C 16 316 HIS O Protein S 4 FT #SUB 137 137 ILE C 17 317 PRO O Protein S 1 FT #SUB 138 138 HIS C 173 473 LYS O Protein S 2 FT #SUB 139 139 LEU C 32 332 PRO O Protein S 1 FT #SUB 140 140 HIS C 11 311 ARG O Protein S 1 FT #SUB 142 142 ARG C 42 342 SER O Protein S 1 FT #SUB 142 142 ARG C 44 344 SER O Protein S 2 FT #SUB 142 142 ARG C 45 345 GLU O Protein S 5 FT #SUB 160 160 LEU C 37 337 VAL O Protein B 1 FT #SUB 160 160 LEU C 40 340 PRO O Protein S 1 FT #SUB 166 166 ARG C 34 334 GLN O Protein S 3 FT #SUB 189 189 ILE C 30 330 ARG O Protein S 3 FT #SUB 189 189 ILE C 31 331 SER O Protein S 2 FT #SUB 189 189 ILE C 32 332 PRO O Protein B 3 FT #SUB 190 190 GLN C 28 328 ILE O Protein S 4 FT #SUB 190 190 GLN C 29 329 ALA O Protein S 3 FT #SUB 190 190 GLN C 31 331 SER O Protein S 7 FT #SUB 190 190 GLN C 33 333 ARG O Protein S 4 FT #SUB 194 194 GLU C 32 332 PRO O Protein S 7 FT #SUB 194 194 GLU C 33 333 ARG O Protein S 6 FT #SUB 194 194 GLU C 34 334 GLN O Protein S 8 FT #SUB 196 196 VAL C 37 337 VAL O Protein S 1 FT #SUB 197 197 PHE C 32 332 PRO O Protein S 1 FT #SUB 197 197 PHE C 36 336 LEU O Protein A 5 FT #SUB 197 197 PHE C 37 337 VAL O Protein B 3 FT #SUB 198 198 PHE C 37 337 VAL O Protein A 5 FT #SUB 198 198 PHE C 39 339 ILE O Protein S 3 FT #SUB 199 199 ASP C 13 313 ARG O Protein S 8 FT #SUB 199 199 ASP C 37 337 VAL O Protein B 3 FT #SUB 199 199 ASP C 38 338 SER O Protein B 2 FT #SUB 199 199 ASP C 39 339 ILE O Protein B 3 FT #SUB 200 200 PHE C 10 310 ILE O Protein B 1 FT #SUB 200 200 PHE C 39 339 ILE O Protein A 5 FT #SUB 200 200 PHE C 41 341 GLN O Protein B 3 FT #SUB 200 200 PHE C 45 345 GLU O Protein S 8 FT #SUB 200 200 PHE C 171 471 ALA O Protein S 2 FT #SUB 200 200 PHE C 228 528 ARG O Protein B 8 FT #HET 15 15 PRO C 49 4 CAQ O S 3 FT #HET 16 16 TYR C 49 4 CAQ O S 4 FT #HET 21 21 LEU C 41 207 GOL C B 3 FT #HET 22 22 ALA C 41 207 GOL C B 5 FT #HET 23 23 LEU C 41 207 GOL C A 8 FT #HET 23 23 LEU C 45 29 GOL O S 4 FT #HET 24 24 GLU C 41 207 GOL C A 3 FT #HET 28 28 ASN C 45 29 GOL O S 6 FT #HET 29 29 PRO C 45 29 GOL O A 9 FT #HET 30 30 THR C 41 207 GOL C S 3 FT #HET 34 34 GLU C 41 207 GOL C S 5 FT #HET 36 36 TRP C 37 203 GOL C S 2 FT #HET 36 36 TRP C 41 207 GOL C S 5 FT #HET 37 37 ASN C 35 201 SO4 C S 5 FT #HET 37 37 ASN C 37 203 GOL C S 1 FT #HET 38 38 ARG C 35 201 SO4 C S 2 FT #HET 38 38 ARG C 36 202 GOL C B 5 FT #HET 39 39 LEU C 36 202 GOL C B 8 FT #HET 40 40 ALA C 36 202 GOL C B 4 FT #HET 41 41 LYS C 36 202 GOL C A 4 FT #HET 84 84 ASN C 36 202 GOL C B 2 FT #HET 85 85 LEU C 36 202 GOL C A 16 FT #HET 87 87 ASN C 36 202 GOL C B 12 FT #HET 88 88 ALA C 36 202 GOL C B 4 FT #HET 89 89 PHE C 36 202 GOL C B 3 FT #HET 90 90 ASN C 36 202 GOL C A 6 FT #HET 95 95 THR C 37 203 GOL C S 2 FT #HET 96 96 ALA C 37 203 GOL C B 4 FT #HET 98 98 THR C 37 203 GOL C S 2 FT #HET 98 98 THR C 39 205 BME C A 3 FT #HET 99 99 PHE C 39 205 BME C A 9 FT #HET 100 100 ASP C 39 205 BME C A 6 FT #HET 103 103 GLU C 37 203 GOL C B 1 FT #HET 104 104 TRP C 37 203 GOL C B 2 FT #HET 105 105 THR C 35 201 SO4 C S 6 FT #HET 105 105 THR C 37 203 GOL C A 5 FT #HET 107 107 HIS C 35 201 SO4 C S 6 FT #HET 152 152 ASN C 40 206 CAQ C B 1 FT #HET 158 158 LEU C 40 206 CAQ C S 1 FT #HET 160 160 LEU C 15 14 GOL M S 3 FT #HET 164 164 PRO C 40 206 CAQ C A 3 FT #HET 167 167 ARG C 40 206 CAQ C S 12 FT #HET 168 168 GLU C 38 204 GOL C B 2 FT #HET 169 169 THR C 38 204 GOL C B 2 FT #HET 171 171 ILE C 38 204 GOL C B 3 FT #HET 171 171 ILE C 40 206 CAQ C S 1 FT #HET 184 184 ARG C 38 204 GOL C A 4 FT #HET 185 185 PHE C 38 204 GOL C B 5 FT #HET 186 186 ASP C 38 204 GOL C A 7 FT #HET 188 188 ARG C 38 204 GOL C S 1 CC SEQUENCE 200 AA (ATOM); CC PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG CC HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV CC PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK CC TAYRFDIRIQ GEGETVFFDF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ATOM PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ************************************************** CC SEQRES LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ATOM LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ************************************************** CC SEQRES AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ATOM AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ************************************************** CC SEQRES ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ATOM ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ************************************************** CC SEQRES CC ATOM CC SQ SEQUENCE 200 AA; MW; CN; PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK TAYRFDIRIQ GEGETVFFDF // ID 3MI5O STANDARD; PRT; 238 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase beta chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 34 334 GLN O 59 59 ASN A Protein S 8 FT #SUB 10 310 ILE O 153 453 PRO M Protein S 5 FT #SUB 10 310 ILE O 154 454 ASN M Protein S 1 FT #SUB 14 314 ASN O 23 323 ASP M Protein S 5 FT #SUB 33 333 ARG O 28 328 ILE M Protein B 1 FT #SUB 35 335 ALA O 25 325 LYS M Protein S 3 FT #SUB 35 335 ALA O 28 328 ILE M Protein S 1 FT #SUB 36 336 LEU O 25 325 LYS M Protein B 4 FT #SUB 38 338 SER O 25 325 LYS M Protein S 1 FT #SUB 38 338 SER O 151 451 ASN M Protein S 3 FT #SUB 38 338 SER O 152 452 GLY M Protein S 6 FT #SUB 38 338 SER O 153 453 PRO M Protein S 7 FT #SUB 150 450 ARG O 160 160 LEU B Protein S 1 FT #SUB 153 453 PRO O 199 199 ASP B Protein S 6 FT #SUB 188 488 MET O 1 1 PRO B Protein S 2 FT #SUB 23 323 ASP O 14 314 ASN N Protein S 5 FT #SUB 25 325 LYS O 35 335 ALA N Protein S 3 FT #SUB 25 325 LYS O 36 336 LEU N Protein S 4 FT #SUB 25 325 LYS O 38 338 SER N Protein S 1 FT #SUB 28 328 ILE O 33 333 ARG N Protein S 1 FT #SUB 28 328 ILE O 35 335 ALA N Protein S 2 FT #SUB 151 451 ASN O 38 338 SER N Protein B 3 FT #SUB 152 452 GLY O 38 338 SER N Protein B 5 FT #SUB 153 453 PRO O 10 310 ILE N Protein S 5 FT #SUB 153 453 PRO O 38 338 SER N Protein A 7 FT #SUB 154 454 ASN O 10 310 ILE N Protein S 1 FT #SUB 1 301 PRO O 78 78 GLU C Protein S 3 FT #SUB 1 301 PRO O 79 79 TYR C Protein A 3 FT #SUB 1 301 PRO O 81 81 ASP C Protein B 1 FT #SUB 2 302 ALA O 79 79 TYR C Protein A 4 FT #SUB 2 302 ALA O 81 81 ASP C Protein A 5 FT #SUB 7 307 ARG O 117 117 ALA C Protein S 1 FT #SUB 9 309 VAL O 4 4 LEU C Protein S 1 FT #SUB 10 310 ILE O 200 200 PHE C Protein S 1 FT #SUB 11 311 ARG O 7 7 GLU C Protein S 7 FT #SUB 11 311 ARG O 140 140 HIS C Protein S 1 FT #SUB 13 313 ARG O 137 137 ILE C Protein S 2 FT #SUB 13 313 ARG O 199 199 ASP C Protein S 8 FT #SUB 15 315 TRP O 6 6 PRO C Protein S 4 FT #SUB 15 315 TRP O 7 7 GLU C Protein S 3 FT #SUB 16 316 HIS O 7 7 GLU C Protein S 7 FT #SUB 16 316 HIS O 8 8 THR C Protein S 1 FT #SUB 16 316 HIS O 9 9 PRO C Protein S 3 FT #SUB 16 316 HIS O 10 10 SER C Protein S 4 FT #SUB 16 316 HIS O 137 137 ILE C Protein S 4 FT #SUB 17 317 PRO O 10 10 SER C Protein S 3 FT #SUB 17 317 PRO O 136 136 ASN C Protein S 3 FT #SUB 17 317 PRO O 137 137 ILE C Protein B 1 FT #SUB 18 318 LYS O 136 136 ASN C Protein B 3 FT #SUB 19 319 ALA O 136 136 ASN C Protein B 2 FT #SUB 21 321 THR O 136 136 ASN C Protein S 4 FT #SUB 24 324 TYR O 12 12 THR C Protein S 3 FT #SUB 24 324 TYR O 133 133 ARG C Protein S 3 FT #SUB 24 324 TYR O 134 134 GLY C Protein S 6 FT #SUB 24 324 TYR O 136 136 ASN C Protein S 2 FT #SUB 26 326 THR O 133 133 ARG C Protein S 2 FT #SUB 26 326 THR O 134 134 GLY C Protein A 3 FT #SUB 27 327 SER O 134 134 GLY C Protein A 3 FT #SUB 28 328 ILE O 190 190 GLN C Protein B 4 FT #SUB 29 329 ALA O 57 57 ASP C Protein B 3 FT #SUB 29 329 ALA O 58 58 GLY C Protein B 3 FT #SUB 29 329 ALA O 59 59 ASN C Protein S 1 FT #SUB 29 329 ALA O 190 190 GLN C Protein B 3 FT #SUB 30 330 ARG O 63 63 VAL C Protein S 6 FT #SUB 30 330 ARG O 65 65 ASP C Protein S 5 FT #SUB 30 330 ARG O 133 133 ARG C Protein S 10 FT #SUB 30 330 ARG O 134 134 GLY C Protein A 2 FT #SUB 30 330 ARG O 135 135 ILE C Protein B 1 FT #SUB 30 330 ARG O 189 189 ILE C Protein B 3 FT #SUB 31 331 SER O 189 189 ILE C Protein B 2 FT #SUB 31 331 SER O 190 190 GLN C Protein A 7 FT #SUB 32 332 PRO O 139 139 LEU C Protein S 1 FT #SUB 32 332 PRO O 189 189 ILE C Protein A 3 FT #SUB 32 332 PRO O 194 194 GLU C Protein A 7 FT #SUB 32 332 PRO O 197 197 PHE C Protein S 1 FT #SUB 33 333 ARG O 190 190 GLN C Protein S 4 FT #SUB 33 333 ARG O 194 194 GLU C Protein A 6 FT #SUB 34 334 GLN O 166 166 ARG C Protein S 3 FT #SUB 34 334 GLN O 194 194 GLU C Protein A 8 FT #SUB 36 336 LEU O 197 197 PHE C Protein A 5 FT #SUB 37 337 VAL O 160 160 LEU C Protein S 1 FT #SUB 37 337 VAL O 196 196 VAL C Protein S 1 FT #SUB 37 337 VAL O 197 197 PHE C Protein A 3 FT #SUB 37 337 VAL O 198 198 PHE C Protein A 5 FT #SUB 37 337 VAL O 199 199 ASP C Protein B 3 FT #SUB 38 338 SER O 199 199 ASP C Protein B 2 FT #SUB 39 339 ILE O 198 198 PHE C Protein S 3 FT #SUB 39 339 ILE O 199 199 ASP C Protein A 3 FT #SUB 39 339 ILE O 200 200 PHE C Protein A 5 FT #SUB 40 340 PRO O 160 160 LEU C Protein S 1 FT #SUB 41 341 GLN O 117 117 ALA C Protein B 1 FT #SUB 41 341 GLN O 200 200 PHE C Protein S 3 FT #SUB 42 342 SER O 122 122 MET C Protein S 3 FT #SUB 42 342 SER O 142 142 ARG C Protein S 1 FT #SUB 43 343 ILE O 114 114 VAL C Protein S 1 FT #SUB 43 343 ILE O 115 115 ASN C Protein S 1 FT #SUB 44 344 SER O 71 71 TRP C Protein B 2 FT #SUB 44 344 SER O 79 79 TYR C Protein A 6 FT #SUB 44 344 SER O 122 122 MET C Protein S 1 FT #SUB 44 344 SER O 125 125 HIS C Protein S 4 FT #SUB 44 344 SER O 127 127 ASN C Protein A 4 FT #SUB 44 344 SER O 142 142 ARG C Protein S 2 FT #SUB 45 345 GLU O 127 127 ASN C Protein S 1 FT #SUB 45 345 GLU O 142 142 ARG C Protein S 5 FT #SUB 45 345 GLU O 200 200 PHE C Protein S 8 FT #SUB 47 347 THR O 71 71 TRP C Protein A 9 FT #SUB 48 348 GLY O 71 71 TRP C Protein B 9 FT #SUB 48 348 GLY O 81 81 ASP C Protein B 1 FT #SUB 49 349 PRO O 71 71 TRP C Protein A 4 FT #SUB 49 349 PRO O 81 81 ASP C Protein B 2 FT #SUB 49 349 PRO O 92 92 PHE C Protein S 7 FT #SUB 50 350 ASN O 81 81 ASP C Protein A 6 FT #SUB 50 350 ASN O 82 82 ALA C Protein B 1 FT #SUB 50 350 ASN O 83 83 TYR C Protein B 3 FT #SUB 51 351 PHE O 35 35 ILE C Protein S 2 FT #SUB 51 351 PHE O 83 83 TYR C Protein S 6 FT #SUB 51 351 PHE O 92 92 PHE C Protein S 2 FT #SUB 53 353 HIS O 83 83 TYR C Protein A 2 FT #SUB 54 354 LEU O 33 33 GLN C Protein A 2 FT #SUB 55 355 GLY O 33 33 GLN C Protein B 5 FT #SUB 86 386 ASP O 5 5 LEU C Protein B 1 FT #SUB 87 387 GLN O 4 4 LEU C Protein A 2 FT #SUB 87 387 GLN O 5 5 LEU C Protein A 10 FT #SUB 87 387 GLN O 7 7 GLU C Protein S 1 FT #SUB 88 388 TYR O 4 4 LEU C Protein S 5 FT #SUB 96 396 LEU O 35 35 ILE C Protein S 1 FT #SUB 98 398 GLU O 21 21 LEU C Protein S 3 FT #SUB 98 398 GLU O 94 94 ARG C Protein S 9 FT #SUB 100 400 TRP O 13 13 ALA C Protein S 1 FT #SUB 100 400 TRP O 16 16 TYR C Protein S 2 FT #SUB 100 400 TRP O 17 17 VAL C Protein S 3 FT #SUB 100 400 TRP O 19 19 ILE C Protein S 1 FT #SUB 100 400 TRP O 20 20 GLY C Protein S 7 FT #SUB 100 400 TRP O 21 21 LEU C Protein S 1 FT #SUB 108 408 TYR O 16 16 TYR C Protein S 6 FT #SUB 108 408 TYR O 19 19 ILE C Protein S 2 FT #SUB 109 409 ARG O 19 19 ILE C Protein B 2 FT #SUB 109 409 ARG O 28 28 ASN C Protein A 8 FT #SUB 110 410 HIS O 15 15 PRO C Protein S 1 FT #SUB 110 410 HIS O 16 16 TYR C Protein S 8 FT #SUB 110 410 HIS O 18 18 HIS C Protein S 5 FT #SUB 110 410 HIS O 19 19 ILE C Protein S 3 FT #SUB 110 410 HIS O 26 26 ALA C Protein A 3 FT #SUB 110 410 HIS O 99 99 PHE C Protein S 2 FT #SUB 111 411 LYS O 25 25 ALA C Protein S 3 FT #SUB 111 411 LYS O 26 26 ALA C Protein A 4 FT #SUB 111 411 LYS O 27 27 GLY C Protein S 1 FT #SUB 111 411 LYS O 99 99 PHE C Protein S 1 FT #SUB 112 412 ASN O 16 16 TYR C Protein A 4 FT #SUB 112 412 ASN O 99 99 PHE C Protein S 6 FT #SUB 113 413 ASP O 16 16 TYR C Protein A 7 FT #SUB 125 425 GLY O 19 19 ILE C Protein B 2 FT #SUB 126 426 VAL O 19 19 ILE C Protein S 3 FT #SUB 126 426 VAL O 20 20 GLY C Protein S 2 FT #SUB 126 426 VAL O 31 31 ARG C Protein S 1 FT #SUB 128 428 ARG O 31 31 ARG C Protein S 15 FT #SUB 128 428 ARG O 33 33 GLN C Protein S 3 FT #SUB 162 462 TYR O 12 12 THR C Protein S 2 FT #SUB 162 462 TYR O 13 13 ALA C Protein S 3 FT #SUB 170 470 ILE O 71 71 TRP C Protein S 4 FT #SUB 170 470 ILE O 127 127 ASN C Protein S 1 FT #SUB 171 471 ALA O 200 200 PHE C Protein A 2 FT #SUB 173 473 LYS O 69 69 GLU C Protein S 6 FT #SUB 173 473 LYS O 131 131 PHE C Protein S 2 FT #SUB 173 473 LYS O 138 138 HIS C Protein B 2 FT #SUB 174 474 LEU O 8 8 THR C Protein S 4 FT #SUB 174 474 LEU O 10 10 SER C Protein S 2 FT #SUB 175 475 ILE O 10 10 SER C Protein B 4 FT #SUB 175 475 ILE O 11 11 GLN C Protein A 4 FT #SUB 175 475 ILE O 13 13 ALA C Protein S 3 FT #SUB 175 475 ILE O 21 21 LEU C Protein S 1 FT #SUB 175 475 ILE O 131 131 PHE C Protein S 2 FT #SUB 176 476 THR O 9 9 PRO C Protein S 3 FT #SUB 176 476 THR O 11 11 GLN C Protein A 3 FT #SUB 177 477 GLN O 11 11 GLN C Protein A 4 FT #SUB 177 477 GLN O 12 12 THR C Protein S 4 FT #SUB 179 479 TYR O 11 11 GLN C Protein S 4 FT #SUB 191 491 ILE O 11 11 GLN C Protein A 5 FT #SUB 192 492 VAL O 11 11 GLN C Protein B 2 FT #SUB 194 494 SER O 11 11 GLN C Protein S 1 FT #SUB 194 494 SER O 136 136 ASN C Protein S 4 FT #SUB 195 495 ILE O 9 9 PRO C Protein S 2 FT #SUB 195 495 ILE O 11 11 GLN C Protein S 3 FT #SUB 200 500 ALA O 9 9 PRO C Protein B 2 FT #SUB 203 503 GLN O 6 6 PRO C Protein S 6 FT #SUB 203 503 GLN O 7 7 GLU C Protein S 4 FT #SUB 203 503 GLN O 8 8 THR C Protein S 4 FT #SUB 203 503 GLN O 9 9 PRO C Protein S 1 FT #SUB 204 504 LEU O 8 8 THR C Protein S 1 FT #SUB 204 504 LEU O 9 9 PRO C Protein S 5 FT #SUB 204 504 LEU O 11 11 GLN C Protein S 2 FT #SUB 225 525 ILE O 8 8 THR C Protein A 3 FT #SUB 226 526 VAL O 6 6 PRO C Protein S 3 FT #SUB 226 526 VAL O 7 7 GLU C Protein B 3 FT #SUB 226 526 VAL O 8 8 THR C Protein B 8 FT #SUB 228 528 ARG O 7 7 GLU C Protein S 3 FT #SUB 228 528 ARG O 200 200 PHE C Protein S 8 FT #SUB 237 537 ASN O 117 117 ALA C Protein S 3 FT #SUB 237 537 ASN O 118 118 ALA C Protein S 2 FT #SUB 181 481 GLU O 1 1 PRO E Protein S 6 FT #SUB 207 507 LYS O 2 2 ILE E Protein S 1 FT #SUB 208 508 LEU O 1 1 PRO E Protein B 3 FT #SUB 208 508 LEU O 2 2 ILE E Protein B 4 FT #SUB 209 509 ASP O 2 2 ILE E Protein S 5 FT #SUB 211 511 ASN O 2 2 ILE E Protein S 3 FT #SUB 211 511 ASN O 4 4 LEU E Protein S 6 FT #SUB 222 522 ARG O 2 2 ILE E Protein S 1 FT #SUB 61 361 HIS O 235 535 PHE Q Protein S 3 FT #SUB 65 365 LEU O 238 538 CYS Q Protein S 1 FT #SUB 79 379 ILE O 234 534 HIS Q Protein S 2 FT #SUB 79 379 ILE O 235 535 PHE Q Protein S 2 FT #SUB 138 438 SER O 235 535 PHE Q Protein S 1 FT #SUB 139 439 PHE O 235 535 PHE Q Protein B 1 FT #SUB 140 440 ARG O 235 535 PHE Q Protein A 9 FT #SUB 140 440 ARG O 238 538 CYS Q Protein S 10 FT #SUB 211 511 ASN O 9 309 VAL Q Protein S 1 FT #SUB 211 511 ASN O 88 388 TYR Q Protein A 2 FT #SUB 211 511 ASN O 231 531 ARG Q Protein B 2 FT #SUB 212 512 ASN O 231 531 ARG Q Protein A 3 FT #SUB 212 512 ASN O 234 534 HIS Q Protein A 7 FT #SUB 213 513 ALA O 231 531 ARG Q Protein B 2 FT #SUB 214 514 ASN O 231 531 ARG Q Protein S 1 FT #SUB 214 514 ASN O 234 534 HIS Q Protein S 6 FT #SUB 214 514 ASN O 235 535 PHE Q Protein S 2 FT #SUB 72 372 LEU O 116 416 LEU R Protein S 1 FT #SUB 72 372 LEU O 118 418 PRO R Protein A 2 FT #SUB 73 373 PRO O 118 418 PRO R Protein B 2 FT #SUB 74 374 ILE O 74 374 ILE R Protein S 4 FT #SUB 74 374 ILE O 120 420 ASP R Protein S 3 FT #SUB 75 375 GLY O 104 404 ALA R Protein B 3 FT #SUB 75 375 GLY O 105 405 GLY R Protein B 6 FT #SUB 76 376 GLU O 104 404 ALA R Protein A 2 FT #SUB 76 376 GLU O 105 405 GLY R Protein B 1 FT #SUB 76 376 GLU O 145 445 GLY R Protein S 1 FT #SUB 76 376 GLU O 146 446 PRO R Protein S 5 FT #SUB 77 377 ARG O 115 415 TYR R Protein S 1 FT #SUB 77 377 ARG O 116 416 LEU R Protein S 5 FT #SUB 104 404 ALA O 75 375 GLY R Protein B 3 FT #SUB 104 404 ALA O 76 376 GLU R Protein B 2 FT #SUB 105 405 GLY O 75 375 GLY R Protein B 7 FT #SUB 105 405 GLY O 76 376 GLU R Protein B 1 FT #SUB 115 415 TYR O 77 377 ARG R Protein S 1 FT #SUB 115 415 TYR O 216 516 MET R Protein S 3 FT #SUB 115 415 TYR O 217 517 ASP R Protein S 4 FT #SUB 116 416 LEU O 72 372 LEU R Protein B 1 FT #SUB 116 416 LEU O 77 377 ARG R Protein S 5 FT #SUB 116 416 LEU O 216 516 MET R Protein S 1 FT #SUB 118 418 PRO O 72 372 LEU R Protein S 2 FT #SUB 118 418 PRO O 73 373 PRO R Protein S 2 FT #SUB 120 420 ASP O 74 374 ILE R Protein A 5 FT #SUB 145 445 GLY O 76 376 GLU R Protein B 2 FT #SUB 146 446 PRO O 76 376 GLU R Protein S 5 FT #SUB 146 446 PRO O 219 519 LEU R Protein S 1 FT #SUB 148 448 PRO O 216 516 MET R Protein A 7 FT #SUB 149 449 TRP O 216 516 MET R Protein B 3 FT #SUB 153 453 PRO O 215 515 PRO R Protein B 2 FT #SUB 154 454 ASN O 210 510 MET R Protein A 4 FT #SUB 154 454 ASN O 213 513 ALA R Protein S 2 FT #SUB 154 454 ASN O 215 515 PRO R Protein S 6 FT #SUB 156 456 TRP O 210 510 MET R Protein S 1 FT #SUB 156 456 TRP O 214 514 ASN R Protein S 1 FT #SUB 156 456 TRP O 217 517 ASP R Protein S 4 FT #SUB 156 456 TRP O 218 518 CYS R Protein S 8 FT #SUB 156 456 TRP O 219 519 LEU R Protein S 12 FT #SUB 181 481 GLU O 182 482 GLY R Protein B 1 FT #SUB 181 481 GLU O 184 484 PRO R Protein A 3 FT #SUB 182 482 GLY O 181 481 GLU R Protein B 1 FT #SUB 182 482 GLY O 182 482 GLY R Protein B 5 FT #SUB 184 484 PRO O 181 481 GLU R Protein S 3 FT #SUB 184 484 PRO O 208 508 LEU R Protein S 2 FT #SUB 184 484 PRO O 221 521 TYR R Protein S 1 FT #SUB 185 485 LEU O 208 508 LEU R Protein S 1 FT #SUB 185 485 LEU O 210 510 MET R Protein S 1 FT #SUB 185 485 LEU O 219 519 LEU R Protein S 1 FT #SUB 188 488 MET O 208 508 LEU R Protein S 1 FT #SUB 188 488 MET O 210 510 MET R Protein S 1 FT #SUB 208 508 LEU O 184 484 PRO R Protein S 2 FT #SUB 208 508 LEU O 185 485 LEU R Protein S 1 FT #SUB 208 508 LEU O 188 488 MET R Protein S 1 FT #SUB 210 510 MET O 154 454 ASN R Protein A 3 FT #SUB 210 510 MET O 156 456 TRP R Protein S 1 FT #SUB 210 510 MET O 185 485 LEU R Protein S 1 FT #SUB 210 510 MET O 188 488 MET R Protein S 1 FT #SUB 213 513 ALA O 154 454 ASN R Protein S 2 FT #SUB 214 514 ASN O 156 456 TRP R Protein B 1 FT #SUB 215 515 PRO O 153 453 PRO R Protein S 2 FT #SUB 215 515 PRO O 154 454 ASN R Protein A 4 FT #SUB 216 516 MET O 115 415 TYR R Protein B 3 FT #SUB 216 516 MET O 116 416 LEU R Protein B 2 FT #SUB 216 516 MET O 148 448 PRO R Protein A 6 FT #SUB 216 516 MET O 149 449 TRP R Protein S 3 FT #SUB 216 516 MET O 150 450 ARG R Protein S 1 FT #SUB 217 517 ASP O 115 415 TYR R Protein B 4 FT #SUB 217 517 ASP O 156 456 TRP R Protein B 4 FT #SUB 218 518 CYS O 156 456 TRP R Protein B 8 FT #SUB 219 519 LEU O 146 446 PRO R Protein S 1 FT #SUB 219 519 LEU O 156 456 TRP R Protein A 12 FT #SUB 219 519 LEU O 185 485 LEU R Protein S 1 FT #SUB 221 521 TYR O 184 484 PRO R Protein S 1 FT #HET 20 320 LEU O 48 539 GOL O S 1 FT #HET 21 321 THR O 50 540 BME O A 4 FT #HET 22 322 PRO O 30 26 GOL N S 1 FT #HET 22 322 PRO O 50 540 BME O A 4 FT #HET 23 323 ASP O 50 540 BME O A 5 FT #HET 28 328 ILE O 30 26 GOL N S 2 FT #HET 33 333 ARG O 48 539 GOL O A 7 FT #HET 38 338 SER O 15 14 GOL M A 6 FT #HET 39 339 ILE O 15 14 GOL M B 2 FT #HET 40 340 PRO O 15 14 GOL M A 12 FT #HET 56 356 PHE O 44 17 GOL O S 4 FT #HET 66 366 ASN O 45 29 GOL O A 2 FT #HET 67 367 PHE O 45 29 GOL O S 9 FT #HET 83 383 ARG O 52 542 BME O S 7 FT #HET 91 391 PRO O 52 542 BME O S 2 FT #HET 108 408 TYR O 42 600 FE O S 4 FT #HET 108 408 TYR O 49 4 CAQ O S 5 FT #HET 109 409 ARG O 45 29 GOL O S 1 FT #HET 112 412 ASN O 43 12 SO4 O B 1 FT #HET 124 424 GLY O 45 29 GOL O B 8 FT #HET 125 425 GLY O 45 29 GOL O B 1 FT #HET 126 426 VAL O 45 29 GOL O S 3 FT #HET 129 429 CYS O 44 17 GOL O A 3 FT #HET 130 430 LEU O 44 17 GOL O A 5 FT #HET 147 447 HIS O 49 4 CAQ O S 4 FT #HET 149 449 TRP O 49 4 CAQ O S 8 FT #HET 149 449 TRP O 51 541 CL O A 3 FT #HET 150 450 ARG O 43 12 SO4 O S 11 FT #HET 150 450 ARG O 46 9 BME O S 4 FT #HET 150 450 ARG O 51 541 CL O A 4 FT #HET 157 457 ARG O 42 600 FE O S 1 FT #HET 157 457 ARG O 49 4 CAQ O S 8 FT #HET 160 460 HIS O 42 600 FE O S 3 FT #HET 160 460 HIS O 49 4 CAQ O S 2 FT #HET 162 462 TYR O 42 600 FE O S 3 FT #HET 162 462 TYR O 49 4 CAQ O S 4 FT #HET 193 493 LYS O 50 540 BME O B 1 FT #HET 203 503 GLN O 47 1 GOL O B 5 FT #HET 205 505 ILE O 47 1 GOL O B 4 FT #HET 207 507 LYS O 47 1 GOL O S 3 FT #HET 213 513 ALA O 81 15 GOL Q B 2 FT #HET 214 514 ASN O 81 15 GOL Q S 1 FT #HET 215 515 PRO O 81 15 GOL Q S 8 FT #HET 222 522 ARG O 47 1 GOL O B 4 FT #HET 223 523 PHE O 47 1 GOL O B 3 FT #HET 224 524 ASP O 47 1 GOL O A 5 CC SEQUENCE 238 AA (ATOM); CC PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD CC HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD CC PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF CC EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ATOM PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ************************************************** CC SEQRES FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ATOM FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ************************************************** CC SEQRES QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ATOM QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ************************************************** CC SEQRES NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ATOM NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ************************************************** CC SEQRES VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ATOM VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ************************************** SQ SEQUENCE 238 AA; MW; CN; PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC // ID 3MI5D STANDARD; PRT; 200 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase alpha chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 4 4 LEU D 9 309 VAL P Protein S 1 FT #SUB 4 4 LEU D 87 387 GLN P Protein S 3 FT #SUB 4 4 LEU D 88 388 TYR P Protein S 4 FT #SUB 5 5 LEU D 86 386 ASP P Protein S 1 FT #SUB 5 5 LEU D 87 387 GLN P Protein A 10 FT #SUB 6 6 PRO D 15 315 TRP P Protein S 4 FT #SUB 6 6 PRO D 203 503 GLN P Protein A 6 FT #SUB 6 6 PRO D 226 526 VAL P Protein B 3 FT #SUB 7 7 GLU D 11 311 ARG P Protein S 7 FT #SUB 7 7 GLU D 15 315 TRP P Protein B 2 FT #SUB 7 7 GLU D 16 316 HIS P Protein S 7 FT #SUB 7 7 GLU D 87 387 GLN P Protein B 1 FT #SUB 7 7 GLU D 203 503 GLN P Protein B 4 FT #SUB 7 7 GLU D 226 526 VAL P Protein A 3 FT #SUB 7 7 GLU D 228 528 ARG P Protein S 3 FT #SUB 8 8 THR D 16 316 HIS P Protein B 1 FT #SUB 8 8 THR D 174 474 LEU P Protein A 4 FT #SUB 8 8 THR D 176 476 THR P Protein S 1 FT #SUB 8 8 THR D 203 503 GLN P Protein A 4 FT #SUB 8 8 THR D 204 504 LEU P Protein S 1 FT #SUB 8 8 THR D 225 525 ILE P Protein S 3 FT #SUB 8 8 THR D 226 526 VAL P Protein A 8 FT #SUB 9 9 PRO D 16 316 HIS P Protein B 3 FT #SUB 9 9 PRO D 176 476 THR P Protein B 3 FT #SUB 9 9 PRO D 195 495 ILE P Protein S 2 FT #SUB 9 9 PRO D 200 500 ALA P Protein S 2 FT #SUB 9 9 PRO D 203 503 GLN P Protein S 1 FT #SUB 9 9 PRO D 204 504 LEU P Protein A 3 FT #SUB 10 10 SER D 16 316 HIS P Protein A 4 FT #SUB 10 10 SER D 17 317 PRO P Protein B 4 FT #SUB 10 10 SER D 174 474 LEU P Protein A 2 FT #SUB 10 10 SER D 175 475 ILE P Protein A 4 FT #SUB 11 11 GLN D 175 475 ILE P Protein B 4 FT #SUB 11 11 GLN D 176 476 THR P Protein A 3 FT #SUB 11 11 GLN D 177 477 GLN P Protein S 4 FT #SUB 11 11 GLN D 179 479 TYR P Protein S 4 FT #SUB 11 11 GLN D 191 491 ILE P Protein S 5 FT #SUB 11 11 GLN D 192 492 VAL P Protein S 2 FT #SUB 11 11 GLN D 194 494 SER P Protein S 1 FT #SUB 11 11 GLN D 195 495 ILE P Protein S 3 FT #SUB 11 11 GLN D 204 504 LEU P Protein S 2 FT #SUB 12 12 THR D 24 324 TYR P Protein S 3 FT #SUB 12 12 THR D 162 462 TYR P Protein B 2 FT #SUB 12 12 THR D 177 477 GLN P Protein A 2 FT #SUB 13 13 ALA D 100 400 TRP P Protein B 1 FT #SUB 13 13 ALA D 162 462 TYR P Protein B 3 FT #SUB 13 13 ALA D 175 475 ILE P Protein A 3 FT #SUB 15 15 PRO D 110 410 HIS P Protein B 1 FT #SUB 16 16 TYR D 100 400 TRP P Protein B 2 FT #SUB 16 16 TYR D 108 408 TYR P Protein S 6 FT #SUB 16 16 TYR D 110 410 HIS P Protein A 10 FT #SUB 16 16 TYR D 112 412 ASN P Protein S 4 FT #SUB 16 16 TYR D 113 413 ASP P Protein S 9 FT #SUB 17 17 VAL D 100 400 TRP P Protein A 3 FT #SUB 18 18 HIS D 110 410 HIS P Protein S 5 FT #SUB 19 19 ILE D 100 400 TRP P Protein S 1 FT #SUB 19 19 ILE D 108 408 TYR P Protein S 2 FT #SUB 19 19 ILE D 109 409 ARG P Protein S 2 FT #SUB 19 19 ILE D 110 410 HIS P Protein S 2 FT #SUB 19 19 ILE D 125 425 GLY P Protein S 1 FT #SUB 19 19 ILE D 126 426 VAL P Protein B 3 FT #SUB 20 20 GLY D 100 400 TRP P Protein B 7 FT #SUB 20 20 GLY D 126 426 VAL P Protein B 2 FT #SUB 21 21 LEU D 98 398 GLU P Protein S 4 FT #SUB 21 21 LEU D 100 400 TRP P Protein S 3 FT #SUB 21 21 LEU D 175 475 ILE P Protein S 1 FT #SUB 25 25 ALA D 111 411 LYS P Protein B 2 FT #SUB 26 26 ALA D 110 410 HIS P Protein A 4 FT #SUB 26 26 ALA D 111 411 LYS P Protein B 6 FT #SUB 27 27 GLY D 111 411 LYS P Protein B 2 FT #SUB 28 28 ASN D 109 409 ARG P Protein S 7 FT #SUB 31 31 ARG D 126 426 VAL P Protein S 1 FT #SUB 31 31 ARG D 128 428 ARG P Protein S 15 FT #SUB 33 33 GLN D 54 354 LEU P Protein S 3 FT #SUB 33 33 GLN D 55 355 GLY P Protein S 8 FT #SUB 33 33 GLN D 128 428 ARG P Protein B 3 FT #SUB 35 35 ILE D 51 351 PHE P Protein S 2 FT #SUB 35 35 ILE D 54 354 LEU P Protein S 1 FT #SUB 35 35 ILE D 96 396 LEU P Protein S 1 FT #SUB 57 57 ASP D 29 329 ALA P Protein A 3 FT #SUB 58 58 GLY D 29 329 ALA P Protein B 3 FT #SUB 59 59 ASN D 29 329 ALA P Protein S 1 FT #SUB 63 63 VAL D 30 330 ARG P Protein A 4 FT #SUB 65 65 ASP D 30 330 ARG P Protein S 5 FT #SUB 69 69 GLU D 173 473 LYS P Protein S 6 FT #SUB 71 71 TRP D 44 344 SER P Protein S 2 FT #SUB 71 71 TRP D 47 347 THR P Protein S 9 FT #SUB 71 71 TRP D 48 348 GLY P Protein S 10 FT #SUB 71 71 TRP D 49 349 PRO P Protein S 4 FT #SUB 71 71 TRP D 170 470 ILE P Protein S 4 FT #SUB 78 78 GLU D 1 301 PRO P Protein S 2 FT #SUB 79 79 TYR D 1 301 PRO P Protein B 3 FT #SUB 79 79 TYR D 2 302 ALA P Protein B 3 FT #SUB 79 79 TYR D 44 344 SER P Protein S 7 FT #SUB 79 79 TYR D 47 347 THR P Protein S 1 FT #SUB 80 80 GLN D 1 301 PRO P Protein S 3 FT #SUB 81 81 ASP D 2 302 ALA P Protein S 2 FT #SUB 81 81 ASP D 48 348 GLY P Protein S 1 FT #SUB 81 81 ASP D 49 349 PRO P Protein B 2 FT #SUB 81 81 ASP D 50 350 ASN P Protein B 6 FT #SUB 83 83 TYR D 50 350 ASN P Protein A 3 FT #SUB 83 83 TYR D 51 351 PHE P Protein S 6 FT #SUB 84 84 ASN D 53 353 HIS P Protein S 1 FT #SUB 92 92 PHE D 49 349 PRO P Protein S 6 FT #SUB 92 92 PHE D 51 351 PHE P Protein S 2 FT #SUB 94 94 ARG D 98 398 GLU P Protein S 8 FT #SUB 99 99 PHE D 110 410 HIS P Protein S 3 FT #SUB 99 99 PHE D 111 411 LYS P Protein S 2 FT #SUB 99 99 PHE D 112 412 ASN P Protein S 6 FT #SUB 114 114 VAL D 43 343 ILE P Protein S 1 FT #SUB 117 117 ALA D 7 307 ARG P Protein S 1 FT #SUB 117 117 ALA D 41 341 GLN P Protein S 1 FT #SUB 117 117 ALA D 237 537 ASN P Protein B 3 FT #SUB 118 118 ALA D 237 537 ASN P Protein A 2 FT #SUB 122 122 MET D 42 342 SER P Protein S 1 FT #SUB 122 122 MET D 44 344 SER P Protein S 1 FT #SUB 125 125 HIS D 44 344 SER P Protein S 4 FT #SUB 127 127 ASN D 44 344 SER P Protein S 4 FT #SUB 127 127 ASN D 45 345 GLU P Protein S 1 FT #SUB 127 127 ASN D 170 470 ILE P Protein S 1 FT #SUB 131 131 PHE D 173 473 LYS P Protein S 2 FT #SUB 131 131 PHE D 175 475 ILE P Protein S 2 FT #SUB 133 133 ARG D 24 324 TYR P Protein A 3 FT #SUB 133 133 ARG D 26 326 THR P Protein S 2 FT #SUB 133 133 ARG D 30 330 ARG P Protein A 8 FT #SUB 134 134 GLY D 24 324 TYR P Protein B 6 FT #SUB 134 134 GLY D 26 326 THR P Protein B 3 FT #SUB 134 134 GLY D 27 327 SER P Protein B 4 FT #SUB 135 135 ILE D 30 330 ARG P Protein S 1 FT #SUB 136 136 ASN D 17 317 PRO P Protein A 3 FT #SUB 136 136 ASN D 18 318 LYS P Protein S 3 FT #SUB 136 136 ASN D 19 319 ALA P Protein S 2 FT #SUB 136 136 ASN D 21 321 THR P Protein S 4 FT #SUB 136 136 ASN D 24 324 TYR P Protein S 2 FT #SUB 136 136 ASN D 194 494 SER P Protein S 1 FT #SUB 137 137 ILE D 13 313 ARG P Protein S 2 FT #SUB 137 137 ILE D 16 316 HIS P Protein S 2 FT #SUB 137 137 ILE D 17 317 PRO P Protein S 1 FT #SUB 138 138 HIS D 11 311 ARG P Protein S 1 FT #SUB 138 138 HIS D 173 473 LYS P Protein S 2 FT #SUB 139 139 LEU D 32 332 PRO P Protein S 1 FT #SUB 140 140 HIS D 11 311 ARG P Protein S 1 FT #SUB 142 142 ARG D 42 342 SER P Protein S 1 FT #SUB 142 142 ARG D 44 344 SER P Protein S 2 FT #SUB 142 142 ARG D 45 345 GLU P Protein S 4 FT #SUB 160 160 LEU D 37 337 VAL P Protein B 1 FT #SUB 160 160 LEU D 39 339 ILE P Protein S 1 FT #SUB 160 160 LEU D 40 340 PRO P Protein S 1 FT #SUB 166 166 ARG D 34 334 GLN P Protein S 3 FT #SUB 189 189 ILE D 30 330 ARG P Protein S 3 FT #SUB 189 189 ILE D 31 331 SER P Protein S 1 FT #SUB 189 189 ILE D 32 332 PRO P Protein B 3 FT #SUB 190 190 GLN D 28 328 ILE P Protein S 4 FT #SUB 190 190 GLN D 29 329 ALA P Protein S 5 FT #SUB 190 190 GLN D 31 331 SER P Protein S 7 FT #SUB 190 190 GLN D 33 333 ARG P Protein S 4 FT #SUB 194 194 GLU D 32 332 PRO P Protein S 6 FT #SUB 194 194 GLU D 33 333 ARG P Protein S 6 FT #SUB 194 194 GLU D 34 334 GLN P Protein S 8 FT #SUB 196 196 VAL D 37 337 VAL P Protein S 1 FT #SUB 197 197 PHE D 32 332 PRO P Protein S 2 FT #SUB 197 197 PHE D 36 336 LEU P Protein A 5 FT #SUB 197 197 PHE D 37 337 VAL P Protein B 4 FT #SUB 198 198 PHE D 37 337 VAL P Protein A 5 FT #SUB 198 198 PHE D 39 339 ILE P Protein S 3 FT #SUB 199 199 ASP D 13 313 ARG P Protein S 10 FT #SUB 199 199 ASP D 37 337 VAL P Protein B 3 FT #SUB 199 199 ASP D 38 338 SER P Protein B 2 FT #SUB 199 199 ASP D 39 339 ILE P Protein B 3 FT #SUB 200 200 PHE D 10 310 ILE P Protein B 1 FT #SUB 200 200 PHE D 39 339 ILE P Protein A 5 FT #SUB 200 200 PHE D 41 341 GLN P Protein B 3 FT #SUB 200 200 PHE D 45 345 GLU P Protein S 8 FT #SUB 200 200 PHE D 171 471 ALA P Protein S 2 FT #SUB 200 200 PHE D 228 528 ARG P Protein B 8 FT #SUB 162 162 GLU D 133 133 ARG E Protein S 8 FT #SUB 163 163 GLN D 61 61 HIS E Protein S 13 FT #SUB 165 165 GLN D 61 61 HIS E Protein S 5 FT #SUB 1 1 PRO D 188 488 MET Q Protein S 2 FT #SUB 160 160 LEU D 150 450 ARG Q Protein S 1 FT #SUB 199 199 ASP D 153 453 PRO Q Protein S 4 FT #SUB 61 61 HIS D 163 163 GLN F Protein S 12 FT #SUB 61 61 HIS D 165 165 GLN F Protein S 5 FT #SUB 133 133 ARG D 162 162 GLU F Protein S 7 FT #SUB 59 59 ASN D 34 334 GLN R Protein S 8 FT #HET 15 15 PRO D 69 542 CAQ P S 4 FT #HET 16 16 TYR D 65 539 BME P S 6 FT #HET 16 16 TYR D 69 542 CAQ P S 3 FT #HET 23 23 LEU D 58 206 GOL D S 2 FT #HET 28 28 ASN D 58 206 GOL D S 1 FT #HET 29 29 PRO D 58 206 GOL D A 5 FT #HET 31 31 ARG D 58 206 GOL D S 1 FT #HET 36 36 TRP D 59 207 BME D S 6 FT #HET 37 37 ASN D 53 201 SO4 D S 4 FT #HET 37 37 ASN D 59 207 BME D S 2 FT #HET 38 38 ARG D 55 203 GOL D B 4 FT #HET 39 39 LEU D 55 203 GOL D B 5 FT #HET 40 40 ALA D 55 203 GOL D B 1 FT #HET 41 41 LYS D 55 203 GOL D S 3 FT #HET 84 84 ASN D 55 203 GOL D B 1 FT #HET 85 85 LEU D 55 203 GOL D A 10 FT #HET 87 87 ASN D 55 203 GOL D B 5 FT #HET 90 90 ASN D 55 203 GOL D A 7 FT #HET 95 95 THR D 59 207 BME D S 2 FT #HET 96 96 ALA D 59 207 BME D B 1 FT #HET 97 97 THR D 54 202 BME D B 1 FT #HET 98 98 THR D 54 202 BME D A 6 FT #HET 99 99 PHE D 54 202 BME D A 12 FT #HET 100 100 ASP D 54 202 BME D A 6 FT #HET 104 104 TRP D 59 207 BME D B 2 FT #HET 105 105 THR D 53 201 SO4 D S 6 FT #HET 105 105 THR D 59 207 BME D A 3 FT #HET 107 107 HIS D 53 201 SO4 D S 6 FT #HET 152 152 ASN D 60 208 CAQ D B 2 FT #HET 158 158 LEU D 60 208 CAQ D S 1 FT #HET 160 160 LEU D 85 540 GOL Q S 1 FT #HET 164 164 PRO D 60 208 CAQ D A 4 FT #HET 167 167 ARG D 60 208 CAQ D S 9 FT #HET 168 168 GLU D 60 208 CAQ D S 1 FT #HET 169 169 THR D 56 204 GOL D B 1 FT #HET 171 171 ILE D 56 204 GOL D B 6 FT #HET 171 171 ILE D 60 208 CAQ D S 1 FT #HET 174 174 ARG D 57 205 GOL D S 7 FT #HET 184 184 ARG D 56 204 GOL D B 4 FT #HET 185 185 PHE D 56 204 GOL D A 6 FT #HET 186 186 ASP D 56 204 GOL D A 11 FT #HET 188 188 ARG D 56 204 GOL D S 3 CC SEQUENCE 200 AA (ATOM); CC PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG CC HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV CC PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK CC TAYRFDIRIQ GEGETVFFDF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ATOM PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ************************************************** CC SEQRES LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ATOM LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ************************************************** CC SEQRES AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ATOM AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ************************************************** CC SEQRES ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ATOM ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ************************************************** CC SEQRES CC ATOM CC SQ SEQUENCE 200 AA; MW; CN; PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK TAYRFDIRIQ GEGETVFFDF // ID 3MI5P STANDARD; PRT; 238 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase beta chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 1 301 PRO P 78 78 GLU D Protein S 2 FT #SUB 1 301 PRO P 79 79 TYR D Protein A 3 FT #SUB 1 301 PRO P 80 80 GLN D Protein A 3 FT #SUB 2 302 ALA P 79 79 TYR D Protein A 3 FT #SUB 2 302 ALA P 81 81 ASP D Protein S 2 FT #SUB 7 307 ARG P 117 117 ALA D Protein S 1 FT #SUB 9 309 VAL P 4 4 LEU D Protein S 1 FT #SUB 10 310 ILE P 200 200 PHE D Protein S 1 FT #SUB 11 311 ARG P 7 7 GLU D Protein S 7 FT #SUB 11 311 ARG P 138 138 HIS D Protein S 1 FT #SUB 11 311 ARG P 140 140 HIS D Protein S 1 FT #SUB 13 313 ARG P 137 137 ILE D Protein S 2 FT #SUB 13 313 ARG P 199 199 ASP D Protein S 10 FT #SUB 15 315 TRP P 6 6 PRO D Protein S 4 FT #SUB 15 315 TRP P 7 7 GLU D Protein S 2 FT #SUB 16 316 HIS P 7 7 GLU D Protein S 7 FT #SUB 16 316 HIS P 8 8 THR D Protein S 1 FT #SUB 16 316 HIS P 9 9 PRO D Protein S 3 FT #SUB 16 316 HIS P 10 10 SER D Protein S 4 FT #SUB 16 316 HIS P 137 137 ILE D Protein S 2 FT #SUB 17 317 PRO P 10 10 SER D Protein S 4 FT #SUB 17 317 PRO P 136 136 ASN D Protein S 3 FT #SUB 17 317 PRO P 137 137 ILE D Protein B 1 FT #SUB 18 318 LYS P 136 136 ASN D Protein B 3 FT #SUB 19 319 ALA P 136 136 ASN D Protein B 2 FT #SUB 21 321 THR P 136 136 ASN D Protein S 4 FT #SUB 24 324 TYR P 12 12 THR D Protein S 3 FT #SUB 24 324 TYR P 133 133 ARG D Protein S 3 FT #SUB 24 324 TYR P 134 134 GLY D Protein S 6 FT #SUB 24 324 TYR P 136 136 ASN D Protein S 2 FT #SUB 26 326 THR P 133 133 ARG D Protein S 2 FT #SUB 26 326 THR P 134 134 GLY D Protein A 3 FT #SUB 27 327 SER P 134 134 GLY D Protein A 4 FT #SUB 28 328 ILE P 190 190 GLN D Protein B 4 FT #SUB 29 329 ALA P 57 57 ASP D Protein B 3 FT #SUB 29 329 ALA P 58 58 GLY D Protein B 3 FT #SUB 29 329 ALA P 59 59 ASN D Protein S 1 FT #SUB 29 329 ALA P 190 190 GLN D Protein B 5 FT #SUB 30 330 ARG P 63 63 VAL D Protein S 4 FT #SUB 30 330 ARG P 65 65 ASP D Protein S 5 FT #SUB 30 330 ARG P 133 133 ARG D Protein S 8 FT #SUB 30 330 ARG P 135 135 ILE D Protein B 1 FT #SUB 30 330 ARG P 189 189 ILE D Protein B 3 FT #SUB 31 331 SER P 189 189 ILE D Protein B 1 FT #SUB 31 331 SER P 190 190 GLN D Protein A 7 FT #SUB 32 332 PRO P 139 139 LEU D Protein S 1 FT #SUB 32 332 PRO P 189 189 ILE D Protein A 3 FT #SUB 32 332 PRO P 194 194 GLU D Protein A 6 FT #SUB 32 332 PRO P 197 197 PHE D Protein S 2 FT #SUB 33 333 ARG P 190 190 GLN D Protein S 4 FT #SUB 33 333 ARG P 194 194 GLU D Protein A 6 FT #SUB 34 334 GLN P 166 166 ARG D Protein S 3 FT #SUB 34 334 GLN P 194 194 GLU D Protein A 8 FT #SUB 36 336 LEU P 197 197 PHE D Protein A 5 FT #SUB 37 337 VAL P 160 160 LEU D Protein S 1 FT #SUB 37 337 VAL P 196 196 VAL D Protein S 1 FT #SUB 37 337 VAL P 197 197 PHE D Protein A 4 FT #SUB 37 337 VAL P 198 198 PHE D Protein A 5 FT #SUB 37 337 VAL P 199 199 ASP D Protein B 3 FT #SUB 38 338 SER P 199 199 ASP D Protein B 2 FT #SUB 39 339 ILE P 160 160 LEU D Protein S 1 FT #SUB 39 339 ILE P 198 198 PHE D Protein S 3 FT #SUB 39 339 ILE P 199 199 ASP D Protein A 3 FT #SUB 39 339 ILE P 200 200 PHE D Protein A 5 FT #SUB 40 340 PRO P 160 160 LEU D Protein S 1 FT #SUB 41 341 GLN P 117 117 ALA D Protein B 1 FT #SUB 41 341 GLN P 200 200 PHE D Protein S 3 FT #SUB 42 342 SER P 122 122 MET D Protein S 1 FT #SUB 42 342 SER P 142 142 ARG D Protein S 1 FT #SUB 43 343 ILE P 114 114 VAL D Protein S 1 FT #SUB 44 344 SER P 71 71 TRP D Protein B 2 FT #SUB 44 344 SER P 79 79 TYR D Protein A 7 FT #SUB 44 344 SER P 122 122 MET D Protein S 1 FT #SUB 44 344 SER P 125 125 HIS D Protein S 4 FT #SUB 44 344 SER P 127 127 ASN D Protein A 4 FT #SUB 44 344 SER P 142 142 ARG D Protein S 2 FT #SUB 45 345 GLU P 127 127 ASN D Protein S 1 FT #SUB 45 345 GLU P 142 142 ARG D Protein S 4 FT #SUB 45 345 GLU P 200 200 PHE D Protein S 8 FT #SUB 47 347 THR P 71 71 TRP D Protein A 9 FT #SUB 47 347 THR P 79 79 TYR D Protein S 1 FT #SUB 48 348 GLY P 71 71 TRP D Protein B 10 FT #SUB 48 348 GLY P 81 81 ASP D Protein B 1 FT #SUB 49 349 PRO P 71 71 TRP D Protein A 4 FT #SUB 49 349 PRO P 81 81 ASP D Protein B 2 FT #SUB 49 349 PRO P 92 92 PHE D Protein S 6 FT #SUB 50 350 ASN P 81 81 ASP D Protein A 6 FT #SUB 50 350 ASN P 83 83 TYR D Protein B 3 FT #SUB 51 351 PHE P 35 35 ILE D Protein S 2 FT #SUB 51 351 PHE P 83 83 TYR D Protein S 6 FT #SUB 51 351 PHE P 92 92 PHE D Protein S 2 FT #SUB 53 353 HIS P 84 84 ASN D Protein S 1 FT #SUB 54 354 LEU P 33 33 GLN D Protein A 3 FT #SUB 54 354 LEU P 35 35 ILE D Protein S 1 FT #SUB 55 355 GLY P 33 33 GLN D Protein B 8 FT #SUB 86 386 ASP P 5 5 LEU D Protein B 1 FT #SUB 87 387 GLN P 4 4 LEU D Protein A 3 FT #SUB 87 387 GLN P 5 5 LEU D Protein A 10 FT #SUB 87 387 GLN P 7 7 GLU D Protein S 1 FT #SUB 88 388 TYR P 4 4 LEU D Protein S 4 FT #SUB 96 396 LEU P 35 35 ILE D Protein S 1 FT #SUB 98 398 GLU P 21 21 LEU D Protein S 4 FT #SUB 98 398 GLU P 94 94 ARG D Protein S 8 FT #SUB 100 400 TRP P 13 13 ALA D Protein S 1 FT #SUB 100 400 TRP P 16 16 TYR D Protein S 2 FT #SUB 100 400 TRP P 17 17 VAL D Protein S 3 FT #SUB 100 400 TRP P 19 19 ILE D Protein S 1 FT #SUB 100 400 TRP P 20 20 GLY D Protein S 7 FT #SUB 100 400 TRP P 21 21 LEU D Protein S 3 FT #SUB 108 408 TYR P 16 16 TYR D Protein S 6 FT #SUB 108 408 TYR P 19 19 ILE D Protein S 2 FT #SUB 109 409 ARG P 19 19 ILE D Protein B 2 FT #SUB 109 409 ARG P 28 28 ASN D Protein A 7 FT #SUB 110 410 HIS P 15 15 PRO D Protein S 1 FT #SUB 110 410 HIS P 16 16 TYR D Protein S 10 FT #SUB 110 410 HIS P 18 18 HIS D Protein S 5 FT #SUB 110 410 HIS P 19 19 ILE D Protein S 2 FT #SUB 110 410 HIS P 26 26 ALA D Protein A 4 FT #SUB 110 410 HIS P 99 99 PHE D Protein S 3 FT #SUB 111 411 LYS P 25 25 ALA D Protein S 2 FT #SUB 111 411 LYS P 26 26 ALA D Protein A 6 FT #SUB 111 411 LYS P 27 27 GLY D Protein S 2 FT #SUB 111 411 LYS P 99 99 PHE D Protein S 2 FT #SUB 112 412 ASN P 16 16 TYR D Protein A 4 FT #SUB 112 412 ASN P 99 99 PHE D Protein S 6 FT #SUB 113 413 ASP P 16 16 TYR D Protein A 9 FT #SUB 125 425 GLY P 19 19 ILE D Protein B 1 FT #SUB 126 426 VAL P 19 19 ILE D Protein S 3 FT #SUB 126 426 VAL P 20 20 GLY D Protein S 2 FT #SUB 126 426 VAL P 31 31 ARG D Protein S 1 FT #SUB 128 428 ARG P 31 31 ARG D Protein S 15 FT #SUB 128 428 ARG P 33 33 GLN D Protein S 3 FT #SUB 162 462 TYR P 12 12 THR D Protein S 2 FT #SUB 162 462 TYR P 13 13 ALA D Protein S 3 FT #SUB 170 470 ILE P 71 71 TRP D Protein S 4 FT #SUB 170 470 ILE P 127 127 ASN D Protein S 1 FT #SUB 171 471 ALA P 200 200 PHE D Protein A 2 FT #SUB 173 473 LYS P 69 69 GLU D Protein S 6 FT #SUB 173 473 LYS P 131 131 PHE D Protein S 2 FT #SUB 173 473 LYS P 138 138 HIS D Protein B 2 FT #SUB 174 474 LEU P 8 8 THR D Protein S 4 FT #SUB 174 474 LEU P 10 10 SER D Protein S 2 FT #SUB 175 475 ILE P 10 10 SER D Protein B 4 FT #SUB 175 475 ILE P 11 11 GLN D Protein A 4 FT #SUB 175 475 ILE P 13 13 ALA D Protein S 3 FT #SUB 175 475 ILE P 21 21 LEU D Protein S 1 FT #SUB 175 475 ILE P 131 131 PHE D Protein S 2 FT #SUB 176 476 THR P 8 8 THR D Protein S 1 FT #SUB 176 476 THR P 9 9 PRO D Protein S 3 FT #SUB 176 476 THR P 11 11 GLN D Protein A 3 FT #SUB 177 477 GLN P 11 11 GLN D Protein A 4 FT #SUB 177 477 GLN P 12 12 THR D Protein S 2 FT #SUB 179 479 TYR P 11 11 GLN D Protein S 4 FT #SUB 191 491 ILE P 11 11 GLN D Protein A 5 FT #SUB 192 492 VAL P 11 11 GLN D Protein B 2 FT #SUB 194 494 SER P 11 11 GLN D Protein S 1 FT #SUB 194 494 SER P 136 136 ASN D Protein S 1 FT #SUB 195 495 ILE P 9 9 PRO D Protein S 2 FT #SUB 195 495 ILE P 11 11 GLN D Protein S 3 FT #SUB 200 500 ALA P 9 9 PRO D Protein B 2 FT #SUB 203 503 GLN P 6 6 PRO D Protein S 6 FT #SUB 203 503 GLN P 7 7 GLU D Protein S 4 FT #SUB 203 503 GLN P 8 8 THR D Protein S 4 FT #SUB 203 503 GLN P 9 9 PRO D Protein S 1 FT #SUB 204 504 LEU P 8 8 THR D Protein S 1 FT #SUB 204 504 LEU P 9 9 PRO D Protein S 3 FT #SUB 204 504 LEU P 11 11 GLN D Protein S 2 FT #SUB 225 525 ILE P 8 8 THR D Protein A 3 FT #SUB 226 526 VAL P 6 6 PRO D Protein S 3 FT #SUB 226 526 VAL P 7 7 GLU D Protein B 3 FT #SUB 226 526 VAL P 8 8 THR D Protein B 8 FT #SUB 228 528 ARG P 7 7 GLU D Protein S 3 FT #SUB 228 528 ARG P 200 200 PHE D Protein S 8 FT #SUB 237 537 ASN P 117 117 ALA D Protein S 3 FT #SUB 237 537 ASN P 118 118 ALA D Protein S 2 FT #SUB 34 334 GLN P 59 59 ASN E Protein S 7 FT #SUB 10 310 ILE P 153 453 PRO Q Protein S 5 FT #SUB 10 310 ILE P 154 454 ASN Q Protein S 1 FT #SUB 14 314 ASN P 23 323 ASP Q Protein S 4 FT #SUB 33 333 ARG P 28 328 ILE Q Protein B 1 FT #SUB 35 335 ALA P 25 325 LYS Q Protein S 3 FT #SUB 35 335 ALA P 28 328 ILE Q Protein A 2 FT #SUB 36 336 LEU P 25 325 LYS Q Protein B 4 FT #SUB 38 338 SER P 25 325 LYS Q Protein S 1 FT #SUB 38 338 SER P 151 451 ASN Q Protein S 3 FT #SUB 38 338 SER P 152 452 GLY Q Protein S 5 FT #SUB 38 338 SER P 153 453 PRO Q Protein S 7 FT #SUB 150 450 ARG P 160 160 LEU F Protein S 1 FT #SUB 153 453 PRO P 199 199 ASP F Protein S 6 FT #SUB 23 323 ASP P 14 314 ASN R Protein S 5 FT #SUB 25 325 LYS P 35 335 ALA R Protein S 3 FT #SUB 25 325 LYS P 36 336 LEU R Protein S 4 FT #SUB 25 325 LYS P 38 338 SER R Protein S 1 FT #SUB 28 328 ILE P 33 333 ARG R Protein S 1 FT #SUB 28 328 ILE P 35 335 ALA R Protein S 2 FT #SUB 151 451 ASN P 38 338 SER R Protein B 3 FT #SUB 152 452 GLY P 38 338 SER R Protein B 5 FT #SUB 153 453 PRO P 10 310 ILE R Protein S 5 FT #SUB 153 453 PRO P 38 338 SER R Protein A 7 FT #SUB 154 454 ASN P 10 310 ILE R Protein S 1 FT #HET 22 322 PRO P 97 23 GOL R S 1 FT #HET 28 328 ILE P 97 23 GOL R S 1 FT #HET 32 332 PRO P 70 543 BME P B 1 FT #HET 33 333 ARG P 70 543 BME P B 2 FT #HET 33 333 ARG P 97 23 GOL R S 1 FT #HET 38 338 SER P 85 540 GOL Q B 2 FT #HET 40 340 PRO P 85 540 GOL Q A 9 FT #HET 56 356 PHE P 66 540 GOL P S 6 FT #HET 57 357 GLY P 62 5 BME P B 2 FT #HET 58 358 ALA P 62 5 BME P A 3 FT #HET 59 359 HIS P 62 5 BME P S 1 FT #HET 66 366 ASN P 58 206 GOL D B 2 FT #HET 67 367 PHE P 58 206 GOL D S 3 FT #HET 108 408 TYR P 61 600 FE P S 3 FT #HET 108 408 TYR P 69 542 CAQ P S 6 FT #HET 112 412 ASN P 68 2 SO4 P B 1 FT #HET 113 413 ASP P 65 539 BME P S 4 FT #HET 114 414 ARG P 65 539 BME P B 1 FT #HET 124 424 GLY P 58 206 GOL D B 2 FT #HET 126 426 VAL P 58 206 GOL D S 2 FT #HET 129 429 CYS P 66 540 GOL P A 3 FT #HET 130 430 LEU P 66 540 GOL P A 5 FT #HET 147 447 HIS P 65 539 BME P S 5 FT #HET 147 447 HIS P 69 542 CAQ P S 7 FT #HET 148 448 PRO P 65 539 BME P B 2 FT #HET 149 449 TRP P 65 539 BME P A 9 FT #HET 149 449 TRP P 69 542 CAQ P S 8 FT #HET 150 450 ARG P 63 17 GOL P S 9 FT #HET 150 450 ARG P 65 539 BME P A 4 FT #HET 150 450 ARG P 68 2 SO4 P S 7 FT #HET 153 453 PRO P 63 17 GOL P A 5 FT #HET 157 457 ARG P 61 600 FE P S 1 FT #HET 157 457 ARG P 69 542 CAQ P S 8 FT #HET 160 460 HIS P 61 600 FE P S 3 FT #HET 160 460 HIS P 69 542 CAQ P S 2 FT #HET 162 462 TYR P 61 600 FE P S 3 FT #HET 162 462 TYR P 69 542 CAQ P S 5 FT #HET 202 502 GLN P 64 1 GOL P B 1 FT #HET 203 503 GLN P 64 1 GOL P B 3 FT #HET 205 505 ILE P 64 1 GOL P B 3 FT #HET 207 507 LYS P 64 1 GOL P A 5 FT #HET 222 522 ARG P 64 1 GOL P B 4 FT #HET 223 523 PHE P 64 1 GOL P B 3 FT #HET 224 524 ASP P 64 1 GOL P A 5 FT #HET 234 534 HIS P 67 541 BME P B 5 FT #HET 235 535 PHE P 67 541 BME P B 5 FT #HET 236 536 GLU P 67 541 BME P A 2 CC SEQUENCE 238 AA (ATOM); CC PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD CC HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD CC PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF CC EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ATOM PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ************************************************** CC SEQRES FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ATOM FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ************************************************** CC SEQRES QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ATOM QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ************************************************** CC SEQRES NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ATOM NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ************************************************** CC SEQRES VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ATOM VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ************************************** SQ SEQUENCE 238 AA; MW; CN; PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC // ID 3MI5E STANDARD; PRT; 200 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase alpha chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 1 1 PRO E 181 481 GLU O Protein A 6 FT #SUB 1 1 PRO E 208 508 LEU O Protein A 3 FT #SUB 2 2 ILE E 207 507 LYS O Protein S 1 FT #SUB 2 2 ILE E 208 508 LEU O Protein A 4 FT #SUB 2 2 ILE E 209 509 ASP O Protein S 5 FT #SUB 2 2 ILE E 211 511 ASN O Protein A 3 FT #SUB 2 2 ILE E 222 522 ARG O Protein S 1 FT #SUB 4 4 LEU E 211 511 ASN O Protein S 6 FT #SUB 61 61 HIS E 163 163 GLN D Protein S 13 FT #SUB 61 61 HIS E 165 165 GLN D Protein S 5 FT #SUB 133 133 ARG E 162 162 GLU D Protein S 8 FT #SUB 59 59 ASN E 34 334 GLN P Protein S 7 FT #SUB 4 4 LEU E 9 309 VAL Q Protein S 1 FT #SUB 4 4 LEU E 87 387 GLN Q Protein A 3 FT #SUB 4 4 LEU E 88 388 TYR Q Protein S 4 FT #SUB 5 5 LEU E 86 386 ASP Q Protein S 1 FT #SUB 5 5 LEU E 87 387 GLN Q Protein A 9 FT #SUB 5 5 LEU E 89 389 GLY Q Protein S 1 FT #SUB 6 6 PRO E 15 315 TRP Q Protein S 4 FT #SUB 6 6 PRO E 203 503 GLN Q Protein A 6 FT #SUB 6 6 PRO E 226 526 VAL Q Protein B 3 FT #SUB 7 7 GLU E 11 311 ARG Q Protein S 7 FT #SUB 7 7 GLU E 15 315 TRP Q Protein B 4 FT #SUB 7 7 GLU E 16 316 HIS Q Protein S 7 FT #SUB 7 7 GLU E 87 387 GLN Q Protein B 1 FT #SUB 7 7 GLU E 203 503 GLN Q Protein B 4 FT #SUB 7 7 GLU E 226 526 VAL Q Protein A 3 FT #SUB 7 7 GLU E 228 528 ARG Q Protein S 3 FT #SUB 8 8 THR E 16 316 HIS Q Protein B 1 FT #SUB 8 8 THR E 174 474 LEU Q Protein A 4 FT #SUB 8 8 THR E 203 503 GLN Q Protein A 4 FT #SUB 8 8 THR E 204 504 LEU Q Protein S 1 FT #SUB 8 8 THR E 225 525 ILE Q Protein S 3 FT #SUB 8 8 THR E 226 526 VAL Q Protein A 9 FT #SUB 9 9 PRO E 16 316 HIS Q Protein B 3 FT #SUB 9 9 PRO E 176 476 THR Q Protein B 3 FT #SUB 9 9 PRO E 195 495 ILE Q Protein S 2 FT #SUB 9 9 PRO E 200 500 ALA Q Protein S 2 FT #SUB 9 9 PRO E 204 504 LEU Q Protein A 4 FT #SUB 10 10 SER E 16 316 HIS Q Protein A 4 FT #SUB 10 10 SER E 17 317 PRO Q Protein B 4 FT #SUB 10 10 SER E 174 474 LEU Q Protein A 2 FT #SUB 10 10 SER E 175 475 ILE Q Protein A 4 FT #SUB 11 11 GLN E 175 475 ILE Q Protein B 4 FT #SUB 11 11 GLN E 176 476 THR Q Protein A 4 FT #SUB 11 11 GLN E 177 477 GLN Q Protein S 4 FT #SUB 11 11 GLN E 179 479 TYR Q Protein S 4 FT #SUB 11 11 GLN E 191 491 ILE Q Protein S 5 FT #SUB 11 11 GLN E 192 492 VAL Q Protein S 2 FT #SUB 11 11 GLN E 194 494 SER Q Protein S 1 FT #SUB 11 11 GLN E 195 495 ILE Q Protein S 3 FT #SUB 11 11 GLN E 204 504 LEU Q Protein S 2 FT #SUB 12 12 THR E 24 324 TYR Q Protein S 5 FT #SUB 12 12 THR E 162 462 TYR Q Protein B 2 FT #SUB 12 12 THR E 177 477 GLN Q Protein A 2 FT #SUB 13 13 ALA E 100 400 TRP Q Protein B 1 FT #SUB 13 13 ALA E 162 462 TYR Q Protein B 3 FT #SUB 13 13 ALA E 175 475 ILE Q Protein A 2 FT #SUB 15 15 PRO E 110 410 HIS Q Protein B 1 FT #SUB 16 16 TYR E 100 400 TRP Q Protein B 2 FT #SUB 16 16 TYR E 108 408 TYR Q Protein S 6 FT #SUB 16 16 TYR E 110 410 HIS Q Protein A 9 FT #SUB 16 16 TYR E 112 412 ASN Q Protein S 5 FT #SUB 16 16 TYR E 113 413 ASP Q Protein S 9 FT #SUB 17 17 VAL E 100 400 TRP Q Protein A 4 FT #SUB 18 18 HIS E 110 410 HIS Q Protein S 5 FT #SUB 19 19 ILE E 100 400 TRP Q Protein S 1 FT #SUB 19 19 ILE E 108 408 TYR Q Protein S 2 FT #SUB 19 19 ILE E 109 409 ARG Q Protein S 3 FT #SUB 19 19 ILE E 110 410 HIS Q Protein S 3 FT #SUB 19 19 ILE E 125 425 GLY Q Protein S 1 FT #SUB 19 19 ILE E 126 426 VAL Q Protein B 3 FT #SUB 20 20 GLY E 100 400 TRP Q Protein B 6 FT #SUB 20 20 GLY E 126 426 VAL Q Protein B 2 FT #SUB 21 21 LEU E 98 398 GLU Q Protein S 3 FT #SUB 21 21 LEU E 100 400 TRP Q Protein S 3 FT #SUB 21 21 LEU E 175 475 ILE Q Protein S 1 FT #SUB 25 25 ALA E 111 411 LYS Q Protein B 2 FT #SUB 26 26 ALA E 110 410 HIS Q Protein A 5 FT #SUB 26 26 ALA E 111 411 LYS Q Protein B 5 FT #SUB 27 27 GLY E 111 411 LYS Q Protein B 2 FT #SUB 28 28 ASN E 109 409 ARG Q Protein S 7 FT #SUB 31 31 ARG E 126 426 VAL Q Protein S 1 FT #SUB 31 31 ARG E 128 428 ARG Q Protein S 15 FT #SUB 33 33 GLN E 54 354 LEU Q Protein S 3 FT #SUB 33 33 GLN E 55 355 GLY Q Protein S 7 FT #SUB 33 33 GLN E 128 428 ARG Q Protein B 3 FT #SUB 35 35 ILE E 51 351 PHE Q Protein S 2 FT #SUB 35 35 ILE E 54 354 LEU Q Protein S 1 FT #SUB 35 35 ILE E 96 396 LEU Q Protein S 1 FT #SUB 57 57 ASP E 29 329 ALA Q Protein A 3 FT #SUB 58 58 GLY E 29 329 ALA Q Protein B 3 FT #SUB 59 59 ASN E 29 329 ALA Q Protein S 1 FT #SUB 63 63 VAL E 30 330 ARG Q Protein A 4 FT #SUB 65 65 ASP E 30 330 ARG Q Protein S 5 FT #SUB 69 69 GLU E 173 473 LYS Q Protein S 6 FT #SUB 71 71 TRP E 44 344 SER Q Protein S 2 FT #SUB 71 71 TRP E 47 347 THR Q Protein S 9 FT #SUB 71 71 TRP E 48 348 GLY Q Protein S 10 FT #SUB 71 71 TRP E 49 349 PRO Q Protein S 4 FT #SUB 71 71 TRP E 170 470 ILE Q Protein S 4 FT #SUB 78 78 GLU E 1 301 PRO Q Protein S 2 FT #SUB 79 79 TYR E 1 301 PRO Q Protein B 3 FT #SUB 79 79 TYR E 2 302 ALA Q Protein B 4 FT #SUB 79 79 TYR E 44 344 SER Q Protein S 7 FT #SUB 81 81 ASP E 2 302 ALA Q Protein S 3 FT #SUB 81 81 ASP E 48 348 GLY Q Protein S 1 FT #SUB 81 81 ASP E 49 349 PRO Q Protein B 2 FT #SUB 81 81 ASP E 50 350 ASN Q Protein B 6 FT #SUB 83 83 TYR E 50 350 ASN Q Protein A 3 FT #SUB 83 83 TYR E 51 351 PHE Q Protein S 5 FT #SUB 83 83 TYR E 53 353 HIS Q Protein B 1 FT #SUB 84 84 ASN E 53 353 HIS Q Protein S 1 FT #SUB 92 92 PHE E 49 349 PRO Q Protein S 6 FT #SUB 92 92 PHE E 51 351 PHE Q Protein S 2 FT #SUB 94 94 ARG E 98 398 GLU Q Protein S 8 FT #SUB 99 99 PHE E 110 410 HIS Q Protein S 3 FT #SUB 99 99 PHE E 112 412 ASN Q Protein S 6 FT #SUB 114 114 VAL E 43 343 ILE Q Protein S 1 FT #SUB 117 117 ALA E 7 307 ARG Q Protein S 1 FT #SUB 117 117 ALA E 41 341 GLN Q Protein S 1 FT #SUB 117 117 ALA E 237 537 ASN Q Protein B 3 FT #SUB 118 118 ALA E 237 537 ASN Q Protein A 2 FT #SUB 122 122 MET E 42 342 SER Q Protein S 1 FT #SUB 122 122 MET E 44 344 SER Q Protein S 1 FT #SUB 125 125 HIS E 44 344 SER Q Protein S 4 FT #SUB 127 127 ASN E 44 344 SER Q Protein S 4 FT #SUB 127 127 ASN E 45 345 GLU Q Protein S 1 FT #SUB 127 127 ASN E 170 470 ILE Q Protein S 1 FT #SUB 131 131 PHE E 173 473 LYS Q Protein S 2 FT #SUB 131 131 PHE E 175 475 ILE Q Protein S 3 FT #SUB 133 133 ARG E 24 324 TYR Q Protein A 3 FT #SUB 133 133 ARG E 26 326 THR Q Protein S 2 FT #SUB 133 133 ARG E 30 330 ARG Q Protein A 8 FT #SUB 134 134 GLY E 24 324 TYR Q Protein B 6 FT #SUB 134 134 GLY E 26 326 THR Q Protein B 3 FT #SUB 134 134 GLY E 27 327 SER Q Protein B 4 FT #SUB 134 134 GLY E 30 330 ARG Q Protein B 2 FT #SUB 135 135 ILE E 30 330 ARG Q Protein S 1 FT #SUB 136 136 ASN E 17 317 PRO Q Protein A 3 FT #SUB 136 136 ASN E 18 318 LYS Q Protein S 3 FT #SUB 136 136 ASN E 19 319 ALA Q Protein S 1 FT #SUB 136 136 ASN E 21 321 THR Q Protein S 4 FT #SUB 136 136 ASN E 24 324 TYR Q Protein S 2 FT #SUB 136 136 ASN E 194 494 SER Q Protein S 1 FT #SUB 137 137 ILE E 13 313 ARG Q Protein S 2 FT #SUB 137 137 ILE E 16 316 HIS Q Protein S 2 FT #SUB 137 137 ILE E 17 317 PRO Q Protein S 1 FT #SUB 138 138 HIS E 173 473 LYS Q Protein S 2 FT #SUB 139 139 LEU E 32 332 PRO Q Protein S 1 FT #SUB 140 140 HIS E 11 311 ARG Q Protein S 1 FT #SUB 142 142 ARG E 42 342 SER Q Protein S 1 FT #SUB 142 142 ARG E 44 344 SER Q Protein S 2 FT #SUB 142 142 ARG E 45 345 GLU Q Protein S 4 FT #SUB 160 160 LEU E 37 337 VAL Q Protein B 1 FT #SUB 160 160 LEU E 39 339 ILE Q Protein S 1 FT #SUB 160 160 LEU E 40 340 PRO Q Protein S 1 FT #SUB 166 166 ARG E 34 334 GLN Q Protein S 1 FT #SUB 189 189 ILE E 30 330 ARG Q Protein S 3 FT #SUB 189 189 ILE E 31 331 SER Q Protein S 1 FT #SUB 189 189 ILE E 32 332 PRO Q Protein B 3 FT #SUB 190 190 GLN E 28 328 ILE Q Protein S 4 FT #SUB 190 190 GLN E 29 329 ALA Q Protein S 5 FT #SUB 190 190 GLN E 31 331 SER Q Protein S 7 FT #SUB 190 190 GLN E 33 333 ARG Q Protein S 4 FT #SUB 194 194 GLU E 32 332 PRO Q Protein S 5 FT #SUB 194 194 GLU E 33 333 ARG Q Protein S 6 FT #SUB 194 194 GLU E 34 334 GLN Q Protein S 7 FT #SUB 196 196 VAL E 37 337 VAL Q Protein S 1 FT #SUB 197 197 PHE E 32 332 PRO Q Protein S 2 FT #SUB 197 197 PHE E 36 336 LEU Q Protein A 4 FT #SUB 197 197 PHE E 37 337 VAL Q Protein B 3 FT #SUB 198 198 PHE E 37 337 VAL Q Protein A 6 FT #SUB 198 198 PHE E 39 339 ILE Q Protein S 3 FT #SUB 199 199 ASP E 13 313 ARG Q Protein S 10 FT #SUB 199 199 ASP E 37 337 VAL Q Protein B 3 FT #SUB 199 199 ASP E 38 338 SER Q Protein B 2 FT #SUB 199 199 ASP E 39 339 ILE Q Protein B 3 FT #SUB 200 200 PHE E 10 310 ILE Q Protein B 1 FT #SUB 200 200 PHE E 39 339 ILE Q Protein A 4 FT #SUB 200 200 PHE E 41 341 GLN Q Protein B 3 FT #SUB 200 200 PHE E 45 345 GLU Q Protein S 8 FT #SUB 200 200 PHE E 171 471 ALA Q Protein S 2 FT #SUB 200 200 PHE E 228 528 ARG Q Protein B 8 FT #SUB 162 162 GLU E 133 133 ARG F Protein S 5 FT #SUB 163 163 GLN E 61 61 HIS F Protein S 12 FT #SUB 165 165 GLN E 61 61 HIS F Protein S 4 FT #SUB 1 1 PRO E 188 488 MET R Protein S 2 FT #SUB 160 160 LEU E 150 450 ARG R Protein S 2 FT #SUB 199 199 ASP E 153 453 PRO R Protein A 5 FT #HET 2 2 ILE E 47 1 GOL O S 1 FT #HET 15 15 PRO E 84 6 CAQ Q S 3 FT #HET 16 16 TYR E 84 6 CAQ Q S 3 FT #HET 23 23 LEU E 76 206 GOL E S 2 FT #HET 25 25 ALA E 74 204 BME E B 3 FT #HET 28 28 ASN E 76 206 GOL E S 2 FT #HET 29 29 PRO E 76 206 GOL E A 5 FT #HET 36 36 TRP E 78 208 BME E S 4 FT #HET 37 37 ASN E 71 201 SO4 E S 6 FT #HET 37 37 ASN E 78 208 BME E S 3 FT #HET 38 38 ARG E 75 205 GOL E B 3 FT #HET 39 39 LEU E 75 205 GOL E B 2 FT #HET 40 40 ALA E 75 205 GOL E B 3 FT #HET 41 41 LYS E 75 205 GOL E A 6 FT #HET 56 56 TYR E 73 203 GOL E S 12 FT #HET 60 60 GLY E 73 203 GOL E B 9 FT #HET 84 84 ASN E 75 205 GOL E B 2 FT #HET 85 85 LEU E 75 205 GOL E B 6 FT #HET 87 87 ASN E 75 205 GOL E A 8 FT #HET 88 88 ALA E 75 205 GOL E B 1 FT #HET 90 90 ASN E 75 205 GOL E S 4 FT #HET 95 95 THR E 78 208 BME E S 5 FT #HET 96 96 ALA E 78 208 BME E B 7 FT #HET 98 98 THR E 74 204 BME E B 2 FT #HET 99 99 PHE E 74 204 BME E A 7 FT #HET 100 100 ASP E 74 204 BME E A 3 FT #HET 103 103 GLU E 78 208 BME E B 2 FT #HET 104 104 TRP E 78 208 BME E A 6 FT #HET 105 105 THR E 71 201 SO4 E S 4 FT #HET 105 105 THR E 78 208 BME E A 9 FT #HET 107 107 HIS E 71 201 SO4 E S 5 FT #HET 152 152 ASN E 77 207 CAQ E B 1 FT #HET 164 164 PRO E 77 207 CAQ E A 4 FT #HET 167 167 ARG E 77 207 CAQ E S 11 FT #HET 168 168 GLU E 72 202 GOL E B 1 FT #HET 169 169 THR E 72 202 GOL E B 2 FT #HET 171 171 ILE E 72 202 GOL E B 4 FT #HET 171 171 ILE E 77 207 CAQ E S 1 FT #HET 184 184 ARG E 72 202 GOL E A 4 FT #HET 185 185 PHE E 72 202 GOL E B 4 FT #HET 186 186 ASP E 72 202 GOL E A 5 FT #HET 188 188 ARG E 72 202 GOL E S 3 FT #HET 188 188 ARG E 73 203 GOL E S 15 CC SEQUENCE 200 AA (ATOM); CC PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG CC HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV CC PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK CC TAYRFDIRIQ GEGETVFFDF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ATOM PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ************************************************** CC SEQRES LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ATOM LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ************************************************** CC SEQRES AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ATOM AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ************************************************** CC SEQRES ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ATOM ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ************************************************** CC SEQRES CC ATOM CC SQ SEQUENCE 200 AA; MW; CN; PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK TAYRFDIRIQ GEGETVFFDF // ID 3MI5Q STANDARD; PRT; 238 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase beta chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 9 309 VAL Q 211 511 ASN O Protein S 1 FT #SUB 88 388 TYR Q 211 511 ASN O Protein S 2 FT #SUB 231 531 ARG Q 211 511 ASN O Protein S 2 FT #SUB 231 531 ARG Q 212 512 ASN O Protein S 3 FT #SUB 231 531 ARG Q 213 513 ALA O Protein S 2 FT #SUB 231 531 ARG Q 214 514 ASN O Protein S 1 FT #SUB 234 534 HIS Q 79 379 ILE O Protein S 2 FT #SUB 234 534 HIS Q 212 512 ASN O Protein S 7 FT #SUB 234 534 HIS Q 214 514 ASN O Protein A 6 FT #SUB 235 535 PHE Q 61 361 HIS O Protein S 3 FT #SUB 235 535 PHE Q 79 379 ILE O Protein S 2 FT #SUB 235 535 PHE Q 138 438 SER O Protein S 1 FT #SUB 235 535 PHE Q 139 439 PHE O Protein S 1 FT #SUB 235 535 PHE Q 140 440 ARG O Protein A 9 FT #SUB 235 535 PHE Q 214 514 ASN O Protein B 2 FT #SUB 238 538 CYS Q 65 365 LEU O Protein B 1 FT #SUB 238 538 CYS Q 140 440 ARG O Protein A 10 FT #SUB 150 450 ARG Q 160 160 LEU D Protein S 1 FT #SUB 153 453 PRO Q 199 199 ASP D Protein S 4 FT #SUB 188 488 MET Q 1 1 PRO D Protein S 2 FT #SUB 23 323 ASP Q 14 314 ASN P Protein S 4 FT #SUB 25 325 LYS Q 35 335 ALA P Protein S 3 FT #SUB 25 325 LYS Q 36 336 LEU P Protein S 4 FT #SUB 25 325 LYS Q 38 338 SER P Protein S 1 FT #SUB 28 328 ILE Q 33 333 ARG P Protein S 1 FT #SUB 28 328 ILE Q 35 335 ALA P Protein S 2 FT #SUB 151 451 ASN Q 38 338 SER P Protein B 3 FT #SUB 152 452 GLY Q 38 338 SER P Protein B 5 FT #SUB 153 453 PRO Q 10 310 ILE P Protein S 5 FT #SUB 153 453 PRO Q 38 338 SER P Protein A 7 FT #SUB 154 454 ASN Q 10 310 ILE P Protein S 1 FT #SUB 1 301 PRO Q 78 78 GLU E Protein S 2 FT #SUB 1 301 PRO Q 79 79 TYR E Protein A 3 FT #SUB 2 302 ALA Q 79 79 TYR E Protein A 4 FT #SUB 2 302 ALA Q 81 81 ASP E Protein A 3 FT #SUB 7 307 ARG Q 117 117 ALA E Protein S 1 FT #SUB 9 309 VAL Q 4 4 LEU E Protein S 1 FT #SUB 10 310 ILE Q 200 200 PHE E Protein S 1 FT #SUB 11 311 ARG Q 7 7 GLU E Protein S 7 FT #SUB 11 311 ARG Q 140 140 HIS E Protein S 1 FT #SUB 13 313 ARG Q 137 137 ILE E Protein S 2 FT #SUB 13 313 ARG Q 199 199 ASP E Protein S 10 FT #SUB 15 315 TRP Q 6 6 PRO E Protein S 4 FT #SUB 15 315 TRP Q 7 7 GLU E Protein S 4 FT #SUB 16 316 HIS Q 7 7 GLU E Protein S 7 FT #SUB 16 316 HIS Q 8 8 THR E Protein S 1 FT #SUB 16 316 HIS Q 9 9 PRO E Protein S 3 FT #SUB 16 316 HIS Q 10 10 SER E Protein S 4 FT #SUB 16 316 HIS Q 137 137 ILE E Protein S 2 FT #SUB 17 317 PRO Q 10 10 SER E Protein S 4 FT #SUB 17 317 PRO Q 136 136 ASN E Protein S 3 FT #SUB 17 317 PRO Q 137 137 ILE E Protein B 1 FT #SUB 18 318 LYS Q 136 136 ASN E Protein B 3 FT #SUB 19 319 ALA Q 136 136 ASN E Protein B 1 FT #SUB 21 321 THR Q 136 136 ASN E Protein S 4 FT #SUB 24 324 TYR Q 12 12 THR E Protein S 5 FT #SUB 24 324 TYR Q 133 133 ARG E Protein S 3 FT #SUB 24 324 TYR Q 134 134 GLY E Protein S 6 FT #SUB 24 324 TYR Q 136 136 ASN E Protein S 2 FT #SUB 26 326 THR Q 133 133 ARG E Protein S 2 FT #SUB 26 326 THR Q 134 134 GLY E Protein A 3 FT #SUB 27 327 SER Q 134 134 GLY E Protein A 4 FT #SUB 28 328 ILE Q 190 190 GLN E Protein B 4 FT #SUB 29 329 ALA Q 57 57 ASP E Protein B 3 FT #SUB 29 329 ALA Q 58 58 GLY E Protein B 3 FT #SUB 29 329 ALA Q 59 59 ASN E Protein S 1 FT #SUB 29 329 ALA Q 190 190 GLN E Protein B 5 FT #SUB 30 330 ARG Q 63 63 VAL E Protein S 4 FT #SUB 30 330 ARG Q 65 65 ASP E Protein S 5 FT #SUB 30 330 ARG Q 133 133 ARG E Protein S 8 FT #SUB 30 330 ARG Q 134 134 GLY E Protein A 2 FT #SUB 30 330 ARG Q 135 135 ILE E Protein B 1 FT #SUB 30 330 ARG Q 189 189 ILE E Protein B 3 FT #SUB 31 331 SER Q 189 189 ILE E Protein B 1 FT #SUB 31 331 SER Q 190 190 GLN E Protein A 7 FT #SUB 32 332 PRO Q 139 139 LEU E Protein S 1 FT #SUB 32 332 PRO Q 189 189 ILE E Protein A 3 FT #SUB 32 332 PRO Q 194 194 GLU E Protein A 5 FT #SUB 32 332 PRO Q 197 197 PHE E Protein S 2 FT #SUB 33 333 ARG Q 190 190 GLN E Protein S 4 FT #SUB 33 333 ARG Q 194 194 GLU E Protein A 6 FT #SUB 34 334 GLN Q 166 166 ARG E Protein S 1 FT #SUB 34 334 GLN Q 194 194 GLU E Protein A 7 FT #SUB 36 336 LEU Q 197 197 PHE E Protein A 4 FT #SUB 37 337 VAL Q 160 160 LEU E Protein S 1 FT #SUB 37 337 VAL Q 196 196 VAL E Protein S 1 FT #SUB 37 337 VAL Q 197 197 PHE E Protein A 3 FT #SUB 37 337 VAL Q 198 198 PHE E Protein A 6 FT #SUB 37 337 VAL Q 199 199 ASP E Protein B 3 FT #SUB 38 338 SER Q 199 199 ASP E Protein B 2 FT #SUB 39 339 ILE Q 160 160 LEU E Protein S 1 FT #SUB 39 339 ILE Q 198 198 PHE E Protein S 3 FT #SUB 39 339 ILE Q 199 199 ASP E Protein A 3 FT #SUB 39 339 ILE Q 200 200 PHE E Protein A 4 FT #SUB 40 340 PRO Q 160 160 LEU E Protein S 1 FT #SUB 41 341 GLN Q 117 117 ALA E Protein B 1 FT #SUB 41 341 GLN Q 200 200 PHE E Protein S 3 FT #SUB 42 342 SER Q 122 122 MET E Protein S 1 FT #SUB 42 342 SER Q 142 142 ARG E Protein S 1 FT #SUB 43 343 ILE Q 114 114 VAL E Protein S 1 FT #SUB 44 344 SER Q 71 71 TRP E Protein B 2 FT #SUB 44 344 SER Q 79 79 TYR E Protein A 7 FT #SUB 44 344 SER Q 122 122 MET E Protein S 1 FT #SUB 44 344 SER Q 125 125 HIS E Protein S 4 FT #SUB 44 344 SER Q 127 127 ASN E Protein A 4 FT #SUB 44 344 SER Q 142 142 ARG E Protein S 2 FT #SUB 45 345 GLU Q 127 127 ASN E Protein S 1 FT #SUB 45 345 GLU Q 142 142 ARG E Protein S 4 FT #SUB 45 345 GLU Q 200 200 PHE E Protein S 8 FT #SUB 47 347 THR Q 71 71 TRP E Protein A 9 FT #SUB 48 348 GLY Q 71 71 TRP E Protein B 10 FT #SUB 48 348 GLY Q 81 81 ASP E Protein B 1 FT #SUB 49 349 PRO Q 71 71 TRP E Protein A 4 FT #SUB 49 349 PRO Q 81 81 ASP E Protein B 2 FT #SUB 49 349 PRO Q 92 92 PHE E Protein S 6 FT #SUB 50 350 ASN Q 81 81 ASP E Protein A 6 FT #SUB 50 350 ASN Q 83 83 TYR E Protein B 3 FT #SUB 51 351 PHE Q 35 35 ILE E Protein S 2 FT #SUB 51 351 PHE Q 83 83 TYR E Protein S 5 FT #SUB 51 351 PHE Q 92 92 PHE E Protein S 2 FT #SUB 53 353 HIS Q 83 83 TYR E Protein B 1 FT #SUB 53 353 HIS Q 84 84 ASN E Protein S 1 FT #SUB 54 354 LEU Q 33 33 GLN E Protein A 3 FT #SUB 54 354 LEU Q 35 35 ILE E Protein S 1 FT #SUB 55 355 GLY Q 33 33 GLN E Protein B 7 FT #SUB 86 386 ASP Q 5 5 LEU E Protein B 1 FT #SUB 87 387 GLN Q 4 4 LEU E Protein A 3 FT #SUB 87 387 GLN Q 5 5 LEU E Protein A 9 FT #SUB 87 387 GLN Q 7 7 GLU E Protein S 1 FT #SUB 88 388 TYR Q 4 4 LEU E Protein S 4 FT #SUB 89 389 GLY Q 5 5 LEU E Protein B 1 FT #SUB 96 396 LEU Q 35 35 ILE E Protein S 1 FT #SUB 98 398 GLU Q 21 21 LEU E Protein S 3 FT #SUB 98 398 GLU Q 94 94 ARG E Protein S 8 FT #SUB 100 400 TRP Q 13 13 ALA E Protein S 1 FT #SUB 100 400 TRP Q 16 16 TYR E Protein S 2 FT #SUB 100 400 TRP Q 17 17 VAL E Protein S 4 FT #SUB 100 400 TRP Q 19 19 ILE E Protein S 1 FT #SUB 100 400 TRP Q 20 20 GLY E Protein S 6 FT #SUB 100 400 TRP Q 21 21 LEU E Protein S 3 FT #SUB 108 408 TYR Q 16 16 TYR E Protein S 6 FT #SUB 108 408 TYR Q 19 19 ILE E Protein S 2 FT #SUB 109 409 ARG Q 19 19 ILE E Protein B 3 FT #SUB 109 409 ARG Q 28 28 ASN E Protein A 7 FT #SUB 110 410 HIS Q 15 15 PRO E Protein S 1 FT #SUB 110 410 HIS Q 16 16 TYR E Protein S 9 FT #SUB 110 410 HIS Q 18 18 HIS E Protein S 5 FT #SUB 110 410 HIS Q 19 19 ILE E Protein S 3 FT #SUB 110 410 HIS Q 26 26 ALA E Protein A 5 FT #SUB 110 410 HIS Q 99 99 PHE E Protein S 3 FT #SUB 111 411 LYS Q 25 25 ALA E Protein S 2 FT #SUB 111 411 LYS Q 26 26 ALA E Protein A 5 FT #SUB 111 411 LYS Q 27 27 GLY E Protein S 2 FT #SUB 112 412 ASN Q 16 16 TYR E Protein A 5 FT #SUB 112 412 ASN Q 99 99 PHE E Protein S 6 FT #SUB 113 413 ASP Q 16 16 TYR E Protein A 9 FT #SUB 125 425 GLY Q 19 19 ILE E Protein B 1 FT #SUB 126 426 VAL Q 19 19 ILE E Protein S 3 FT #SUB 126 426 VAL Q 20 20 GLY E Protein S 2 FT #SUB 126 426 VAL Q 31 31 ARG E Protein S 1 FT #SUB 128 428 ARG Q 31 31 ARG E Protein S 15 FT #SUB 128 428 ARG Q 33 33 GLN E Protein S 3 FT #SUB 162 462 TYR Q 12 12 THR E Protein S 2 FT #SUB 162 462 TYR Q 13 13 ALA E Protein S 3 FT #SUB 170 470 ILE Q 71 71 TRP E Protein S 4 FT #SUB 170 470 ILE Q 127 127 ASN E Protein S 1 FT #SUB 171 471 ALA Q 200 200 PHE E Protein A 2 FT #SUB 173 473 LYS Q 69 69 GLU E Protein S 6 FT #SUB 173 473 LYS Q 131 131 PHE E Protein S 2 FT #SUB 173 473 LYS Q 138 138 HIS E Protein B 2 FT #SUB 174 474 LEU Q 8 8 THR E Protein S 4 FT #SUB 174 474 LEU Q 10 10 SER E Protein S 2 FT #SUB 175 475 ILE Q 10 10 SER E Protein B 4 FT #SUB 175 475 ILE Q 11 11 GLN E Protein A 4 FT #SUB 175 475 ILE Q 13 13 ALA E Protein S 2 FT #SUB 175 475 ILE Q 21 21 LEU E Protein S 1 FT #SUB 175 475 ILE Q 131 131 PHE E Protein S 3 FT #SUB 176 476 THR Q 9 9 PRO E Protein S 3 FT #SUB 176 476 THR Q 11 11 GLN E Protein A 4 FT #SUB 177 477 GLN Q 11 11 GLN E Protein A 4 FT #SUB 177 477 GLN Q 12 12 THR E Protein S 2 FT #SUB 179 479 TYR Q 11 11 GLN E Protein S 4 FT #SUB 191 491 ILE Q 11 11 GLN E Protein A 5 FT #SUB 192 492 VAL Q 11 11 GLN E Protein B 2 FT #SUB 194 494 SER Q 11 11 GLN E Protein S 1 FT #SUB 194 494 SER Q 136 136 ASN E Protein S 1 FT #SUB 195 495 ILE Q 9 9 PRO E Protein S 2 FT #SUB 195 495 ILE Q 11 11 GLN E Protein S 3 FT #SUB 200 500 ALA Q 9 9 PRO E Protein B 2 FT #SUB 203 503 GLN Q 6 6 PRO E Protein S 6 FT #SUB 203 503 GLN Q 7 7 GLU E Protein S 4 FT #SUB 203 503 GLN Q 8 8 THR E Protein S 4 FT #SUB 204 504 LEU Q 8 8 THR E Protein S 1 FT #SUB 204 504 LEU Q 9 9 PRO E Protein S 4 FT #SUB 204 504 LEU Q 11 11 GLN E Protein S 2 FT #SUB 225 525 ILE Q 8 8 THR E Protein A 3 FT #SUB 226 526 VAL Q 6 6 PRO E Protein S 3 FT #SUB 226 526 VAL Q 7 7 GLU E Protein B 3 FT #SUB 226 526 VAL Q 8 8 THR E Protein A 9 FT #SUB 228 528 ARG Q 7 7 GLU E Protein S 3 FT #SUB 228 528 ARG Q 200 200 PHE E Protein S 8 FT #SUB 237 537 ASN Q 117 117 ALA E Protein S 3 FT #SUB 237 537 ASN Q 118 118 ALA E Protein S 2 FT #SUB 34 334 GLN Q 59 59 ASN F Protein S 9 FT #SUB 10 310 ILE Q 153 453 PRO R Protein S 5 FT #SUB 10 310 ILE Q 154 454 ASN R Protein S 1 FT #SUB 14 314 ASN Q 23 323 ASP R Protein S 5 FT #SUB 33 333 ARG Q 28 328 ILE R Protein B 1 FT #SUB 35 335 ALA Q 25 325 LYS R Protein S 3 FT #SUB 35 335 ALA Q 28 328 ILE R Protein A 2 FT #SUB 36 336 LEU Q 25 325 LYS R Protein B 4 FT #SUB 38 338 SER Q 25 325 LYS R Protein S 1 FT #SUB 38 338 SER Q 151 451 ASN R Protein S 3 FT #SUB 38 338 SER Q 152 452 GLY R Protein S 5 FT #SUB 38 338 SER Q 153 453 PRO R Protein S 7 FT #HET 7 307 ARG Q 81 15 GOL Q S 14 FT #HET 10 310 ILE Q 81 15 GOL Q S 1 FT #HET 22 322 PRO Q 70 543 BME P S 1 FT #HET 28 328 ILE Q 70 543 BME P S 1 FT #HET 40 340 PRO Q 81 15 GOL Q A 3 FT #HET 41 341 GLN Q 81 15 GOL Q A 15 FT #HET 66 366 ASN Q 76 206 GOL E A 4 FT #HET 67 367 PHE Q 76 206 GOL E S 3 FT #HET 83 383 ARG Q 83 539 SO4 Q S 9 FT #HET 108 408 TYR Q 79 600 FE Q S 3 FT #HET 108 408 TYR Q 84 6 CAQ Q S 4 FT #HET 109 409 ARG Q 80 10 SO4 Q S 11 FT #HET 111 411 LYS Q 74 204 BME E S 2 FT #HET 114 414 ARG Q 86 541 CL Q S 1 FT #HET 119 419 LEU Q 80 10 SO4 Q S 2 FT #HET 120 420 ASP Q 80 10 SO4 Q B 2 FT #HET 121 421 PRO Q 80 10 SO4 Q B 3 FT #HET 124 424 GLY Q 76 206 GOL E B 2 FT #HET 126 426 VAL Q 76 206 GOL E S 3 FT #HET 147 447 HIS Q 84 6 CAQ Q S 4 FT #HET 149 449 TRP Q 84 6 CAQ Q S 8 FT #HET 149 449 TRP Q 86 541 CL Q A 3 FT #HET 150 450 ARG Q 85 540 GOL Q S 9 FT #HET 150 450 ARG Q 86 541 CL Q A 3 FT #HET 157 457 ARG Q 79 600 FE Q S 1 FT #HET 157 457 ARG Q 84 6 CAQ Q S 8 FT #HET 160 460 HIS Q 79 600 FE Q S 3 FT #HET 160 460 HIS Q 84 6 CAQ Q S 2 FT #HET 162 462 TYR Q 79 600 FE Q S 3 FT #HET 162 462 TYR Q 84 6 CAQ Q S 4 FT #HET 202 502 GLN Q 82 1 GOL Q B 1 FT #HET 203 503 GLN Q 82 1 GOL Q B 5 FT #HET 205 505 ILE Q 82 1 GOL Q B 3 FT #HET 207 507 LYS Q 82 1 GOL Q S 4 FT #HET 222 522 ARG Q 82 1 GOL Q B 3 FT #HET 223 523 PHE Q 82 1 GOL Q B 3 FT #HET 224 524 ASP Q 82 1 GOL Q A 5 FT #HET 231 531 ARG Q 81 15 GOL Q S 5 FT #HET 236 536 GLU Q 81 15 GOL Q S 3 CC SEQUENCE 238 AA (ATOM); CC PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD CC HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD CC PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF CC EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ATOM PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ************************************************** CC SEQRES FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ATOM FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ************************************************** CC SEQRES QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ATOM QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ************************************************** CC SEQRES NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ATOM NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ************************************************** CC SEQRES VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ATOM VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ************************************** SQ SEQUENCE 238 AA; MW; CN; PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC // ID 3MI5F STANDARD; PRT; 200 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase alpha chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 162 162 GLU F 133 133 ARG D Protein S 7 FT #SUB 163 163 GLN F 61 61 HIS D Protein S 12 FT #SUB 165 165 GLN F 61 61 HIS D Protein S 5 FT #SUB 160 160 LEU F 150 450 ARG P Protein S 1 FT #SUB 199 199 ASP F 153 453 PRO P Protein S 6 FT #SUB 61 61 HIS F 163 163 GLN E Protein S 12 FT #SUB 61 61 HIS F 165 165 GLN E Protein S 4 FT #SUB 133 133 ARG F 162 162 GLU E Protein S 5 FT #SUB 59 59 ASN F 34 334 GLN Q Protein S 9 FT #SUB 4 4 LEU F 9 309 VAL R Protein S 1 FT #SUB 4 4 LEU F 87 387 GLN R Protein S 2 FT #SUB 4 4 LEU F 88 388 TYR R Protein S 4 FT #SUB 5 5 LEU F 86 386 ASP R Protein S 1 FT #SUB 5 5 LEU F 87 387 GLN R Protein A 10 FT #SUB 6 6 PRO F 15 315 TRP R Protein S 4 FT #SUB 6 6 PRO F 203 503 GLN R Protein A 6 FT #SUB 6 6 PRO F 226 526 VAL R Protein B 3 FT #SUB 7 7 GLU F 11 311 ARG R Protein S 7 FT #SUB 7 7 GLU F 15 315 TRP R Protein B 3 FT #SUB 7 7 GLU F 16 316 HIS R Protein S 7 FT #SUB 7 7 GLU F 87 387 GLN R Protein B 1 FT #SUB 7 7 GLU F 203 503 GLN R Protein B 4 FT #SUB 7 7 GLU F 226 526 VAL R Protein A 3 FT #SUB 7 7 GLU F 228 528 ARG R Protein S 3 FT #SUB 8 8 THR F 16 316 HIS R Protein B 1 FT #SUB 8 8 THR F 174 474 LEU R Protein A 4 FT #SUB 8 8 THR F 203 503 GLN R Protein A 4 FT #SUB 8 8 THR F 204 504 LEU R Protein S 1 FT #SUB 8 8 THR F 225 525 ILE R Protein S 3 FT #SUB 8 8 THR F 226 526 VAL R Protein A 8 FT #SUB 9 9 PRO F 16 316 HIS R Protein B 3 FT #SUB 9 9 PRO F 176 476 THR R Protein B 3 FT #SUB 9 9 PRO F 195 495 ILE R Protein S 2 FT #SUB 9 9 PRO F 200 500 ALA R Protein S 2 FT #SUB 9 9 PRO F 204 504 LEU R Protein A 4 FT #SUB 10 10 SER F 16 316 HIS R Protein A 4 FT #SUB 10 10 SER F 17 317 PRO R Protein B 4 FT #SUB 10 10 SER F 174 474 LEU R Protein A 2 FT #SUB 10 10 SER F 175 475 ILE R Protein A 4 FT #SUB 11 11 GLN F 175 475 ILE R Protein B 4 FT #SUB 11 11 GLN F 176 476 THR R Protein A 3 FT #SUB 11 11 GLN F 177 477 GLN R Protein S 4 FT #SUB 11 11 GLN F 179 479 TYR R Protein S 4 FT #SUB 11 11 GLN F 191 491 ILE R Protein S 5 FT #SUB 11 11 GLN F 192 492 VAL R Protein S 1 FT #SUB 11 11 GLN F 194 494 SER R Protein S 1 FT #SUB 11 11 GLN F 195 495 ILE R Protein S 3 FT #SUB 11 11 GLN F 204 504 LEU R Protein S 2 FT #SUB 12 12 THR F 24 324 TYR R Protein S 5 FT #SUB 12 12 THR F 162 462 TYR R Protein B 2 FT #SUB 12 12 THR F 177 477 GLN R Protein A 4 FT #SUB 13 13 ALA F 100 400 TRP R Protein B 1 FT #SUB 13 13 ALA F 162 462 TYR R Protein B 3 FT #SUB 13 13 ALA F 175 475 ILE R Protein A 2 FT #SUB 15 15 PRO F 110 410 HIS R Protein B 1 FT #SUB 16 16 TYR F 100 400 TRP R Protein B 2 FT #SUB 16 16 TYR F 108 408 TYR R Protein S 6 FT #SUB 16 16 TYR F 110 410 HIS R Protein A 9 FT #SUB 16 16 TYR F 112 412 ASN R Protein S 4 FT #SUB 16 16 TYR F 113 413 ASP R Protein S 8 FT #SUB 17 17 VAL F 100 400 TRP R Protein A 3 FT #SUB 18 18 HIS F 110 410 HIS R Protein S 5 FT #SUB 19 19 ILE F 100 400 TRP R Protein S 1 FT #SUB 19 19 ILE F 108 408 TYR R Protein S 2 FT #SUB 19 19 ILE F 109 409 ARG R Protein S 3 FT #SUB 19 19 ILE F 110 410 HIS R Protein S 3 FT #SUB 19 19 ILE F 125 425 GLY R Protein S 2 FT #SUB 19 19 ILE F 126 426 VAL R Protein B 3 FT #SUB 20 20 GLY F 100 400 TRP R Protein B 6 FT #SUB 20 20 GLY F 126 426 VAL R Protein B 2 FT #SUB 21 21 LEU F 98 398 GLU R Protein S 3 FT #SUB 21 21 LEU F 100 400 TRP R Protein S 2 FT #SUB 21 21 LEU F 175 475 ILE R Protein S 1 FT #SUB 25 25 ALA F 111 411 LYS R Protein B 3 FT #SUB 26 26 ALA F 110 410 HIS R Protein A 4 FT #SUB 26 26 ALA F 111 411 LYS R Protein B 6 FT #SUB 27 27 GLY F 111 411 LYS R Protein B 2 FT #SUB 28 28 ASN F 109 409 ARG R Protein S 8 FT #SUB 31 31 ARG F 126 426 VAL R Protein S 1 FT #SUB 31 31 ARG F 128 428 ARG R Protein S 14 FT #SUB 33 33 GLN F 54 354 LEU R Protein S 2 FT #SUB 33 33 GLN F 55 355 GLY R Protein S 6 FT #SUB 33 33 GLN F 128 428 ARG R Protein B 3 FT #SUB 35 35 ILE F 51 351 PHE R Protein S 2 FT #SUB 35 35 ILE F 96 396 LEU R Protein S 1 FT #SUB 57 57 ASP F 29 329 ALA R Protein A 3 FT #SUB 58 58 GLY F 29 329 ALA R Protein B 3 FT #SUB 59 59 ASN F 29 329 ALA R Protein S 1 FT #SUB 63 63 VAL F 30 330 ARG R Protein A 5 FT #SUB 65 65 ASP F 30 330 ARG R Protein S 5 FT #SUB 69 69 GLU F 173 473 LYS R Protein S 6 FT #SUB 71 71 TRP F 44 344 SER R Protein S 2 FT #SUB 71 71 TRP F 47 347 THR R Protein S 9 FT #SUB 71 71 TRP F 48 348 GLY R Protein S 9 FT #SUB 71 71 TRP F 49 349 PRO R Protein S 4 FT #SUB 71 71 TRP F 170 470 ILE R Protein S 4 FT #SUB 78 78 GLU F 1 301 PRO R Protein S 3 FT #SUB 79 79 TYR F 1 301 PRO R Protein B 3 FT #SUB 79 79 TYR F 2 302 ALA R Protein A 4 FT #SUB 79 79 TYR F 44 344 SER R Protein S 6 FT #SUB 81 81 ASP F 1 301 PRO R Protein S 1 FT #SUB 81 81 ASP F 2 302 ALA R Protein S 5 FT #SUB 81 81 ASP F 48 348 GLY R Protein S 1 FT #SUB 81 81 ASP F 49 349 PRO R Protein B 2 FT #SUB 81 81 ASP F 50 350 ASN R Protein B 6 FT #SUB 82 82 ALA F 50 350 ASN R Protein B 1 FT #SUB 83 83 TYR F 50 350 ASN R Protein A 3 FT #SUB 83 83 TYR F 51 351 PHE R Protein S 6 FT #SUB 83 83 TYR F 53 353 HIS R Protein B 2 FT #SUB 83 83 TYR F 54 354 LEU R Protein B 1 FT #SUB 84 84 ASN F 53 353 HIS R Protein S 1 FT #SUB 92 92 PHE F 49 349 PRO R Protein S 7 FT #SUB 92 92 PHE F 51 351 PHE R Protein S 2 FT #SUB 94 94 ARG F 98 398 GLU R Protein S 9 FT #SUB 99 99 PHE F 110 410 HIS R Protein S 1 FT #SUB 99 99 PHE F 112 412 ASN R Protein S 5 FT #SUB 114 114 VAL F 43 343 ILE R Protein S 1 FT #SUB 115 115 ASN F 43 343 ILE R Protein B 1 FT #SUB 117 117 ALA F 7 307 ARG R Protein S 1 FT #SUB 117 117 ALA F 41 341 GLN R Protein S 1 FT #SUB 117 117 ALA F 237 537 ASN R Protein B 3 FT #SUB 118 118 ALA F 237 537 ASN R Protein A 2 FT #SUB 122 122 MET F 42 342 SER R Protein S 3 FT #SUB 122 122 MET F 44 344 SER R Protein S 1 FT #SUB 125 125 HIS F 44 344 SER R Protein S 4 FT #SUB 127 127 ASN F 44 344 SER R Protein S 5 FT #SUB 127 127 ASN F 45 345 GLU R Protein S 1 FT #SUB 127 127 ASN F 170 470 ILE R Protein S 1 FT #SUB 131 131 PHE F 173 473 LYS R Protein S 2 FT #SUB 131 131 PHE F 175 475 ILE R Protein S 2 FT #SUB 133 133 ARG F 24 324 TYR R Protein A 3 FT #SUB 133 133 ARG F 26 326 THR R Protein S 2 FT #SUB 133 133 ARG F 30 330 ARG R Protein A 10 FT #SUB 134 134 GLY F 24 324 TYR R Protein B 6 FT #SUB 134 134 GLY F 26 326 THR R Protein B 3 FT #SUB 134 134 GLY F 27 327 SER R Protein B 4 FT #SUB 134 134 GLY F 30 330 ARG R Protein B 2 FT #SUB 135 135 ILE F 30 330 ARG R Protein S 1 FT #SUB 136 136 ASN F 17 317 PRO R Protein A 3 FT #SUB 136 136 ASN F 18 318 LYS R Protein S 3 FT #SUB 136 136 ASN F 19 319 ALA R Protein S 1 FT #SUB 136 136 ASN F 21 321 THR R Protein S 4 FT #SUB 136 136 ASN F 24 324 TYR R Protein S 2 FT #SUB 136 136 ASN F 194 494 SER R Protein S 2 FT #SUB 137 137 ILE F 13 313 ARG R Protein S 2 FT #SUB 137 137 ILE F 16 316 HIS R Protein S 3 FT #SUB 137 137 ILE F 17 317 PRO R Protein S 1 FT #SUB 138 138 HIS F 173 473 LYS R Protein S 2 FT #SUB 139 139 LEU F 32 332 PRO R Protein S 1 FT #SUB 140 140 HIS F 11 311 ARG R Protein S 1 FT #SUB 142 142 ARG F 42 342 SER R Protein S 1 FT #SUB 142 142 ARG F 44 344 SER R Protein S 2 FT #SUB 142 142 ARG F 45 345 GLU R Protein S 5 FT #SUB 160 160 LEU F 37 337 VAL R Protein B 1 FT #SUB 160 160 LEU F 39 339 ILE R Protein S 1 FT #SUB 160 160 LEU F 40 340 PRO R Protein S 1 FT #SUB 166 166 ARG F 34 334 GLN R Protein S 3 FT #SUB 189 189 ILE F 30 330 ARG R Protein S 3 FT #SUB 189 189 ILE F 31 331 SER R Protein S 2 FT #SUB 189 189 ILE F 32 332 PRO R Protein A 4 FT #SUB 190 190 GLN F 28 328 ILE R Protein S 4 FT #SUB 190 190 GLN F 29 329 ALA R Protein S 4 FT #SUB 190 190 GLN F 31 331 SER R Protein S 7 FT #SUB 190 190 GLN F 33 333 ARG R Protein S 4 FT #SUB 194 194 GLU F 32 332 PRO R Protein S 5 FT #SUB 194 194 GLU F 33 333 ARG R Protein S 6 FT #SUB 194 194 GLU F 34 334 GLN R Protein S 8 FT #SUB 196 196 VAL F 37 337 VAL R Protein S 1 FT #SUB 197 197 PHE F 32 332 PRO R Protein S 1 FT #SUB 197 197 PHE F 36 336 LEU R Protein A 5 FT #SUB 197 197 PHE F 37 337 VAL R Protein B 4 FT #SUB 198 198 PHE F 37 337 VAL R Protein A 5 FT #SUB 198 198 PHE F 39 339 ILE R Protein S 3 FT #SUB 199 199 ASP F 13 313 ARG R Protein S 9 FT #SUB 199 199 ASP F 37 337 VAL R Protein B 3 FT #SUB 199 199 ASP F 38 338 SER R Protein B 2 FT #SUB 199 199 ASP F 39 339 ILE R Protein B 3 FT #SUB 200 200 PHE F 10 310 ILE R Protein B 1 FT #SUB 200 200 PHE F 39 339 ILE R Protein A 5 FT #SUB 200 200 PHE F 41 341 GLN R Protein B 3 FT #SUB 200 200 PHE F 45 345 GLU R Protein S 8 FT #SUB 200 200 PHE F 171 471 ALA R Protein S 2 FT #SUB 200 200 PHE F 228 528 ARG R Protein B 8 FT #HET 15 15 PRO F 100 1 CAQ R S 4 FT #HET 16 16 TYR F 100 1 CAQ R S 5 FT #HET 23 23 LEU F 91 205 BME F S 1 FT #HET 25 25 ALA F 93 207 BME F S 1 FT #HET 28 28 ASN F 91 205 BME F S 1 FT #HET 29 29 PRO F 91 205 BME F B 3 FT #HET 36 36 TRP F 89 203 GOL F S 1 FT #HET 37 37 ASN F 87 201 SO4 F S 5 FT #HET 37 37 ASN F 89 203 GOL F S 1 FT #HET 38 38 ARG F 87 201 SO4 F S 2 FT #HET 38 38 ARG F 90 204 GOL F B 5 FT #HET 39 39 LEU F 90 204 GOL F B 2 FT #HET 40 40 ALA F 90 204 GOL F B 2 FT #HET 41 41 LYS F 90 204 GOL F A 5 FT #HET 84 84 ASN F 90 204 GOL F B 1 FT #HET 85 85 LEU F 90 204 GOL F A 14 FT #HET 87 87 ASN F 90 204 GOL F B 7 FT #HET 88 88 ALA F 90 204 GOL F B 1 FT #HET 90 90 ASN F 90 204 GOL F S 4 FT #HET 95 95 THR F 89 203 GOL F S 2 FT #HET 96 96 ALA F 89 203 GOL F B 3 FT #HET 98 98 THR F 89 203 GOL F S 1 FT #HET 98 98 THR F 93 207 BME F A 5 FT #HET 99 99 PHE F 93 207 BME F A 9 FT #HET 100 100 ASP F 93 207 BME F A 3 FT #HET 103 103 GLU F 89 203 GOL F B 1 FT #HET 104 104 TRP F 89 203 GOL F B 2 FT #HET 105 105 THR F 87 201 SO4 F S 6 FT #HET 105 105 THR F 89 203 GOL F A 6 FT #HET 107 107 HIS F 87 201 SO4 F S 6 FT #HET 152 152 ASN F 92 206 CAQ F B 1 FT #HET 164 164 PRO F 92 206 CAQ F A 3 FT #HET 167 167 ARG F 92 206 CAQ F S 13 FT #HET 168 168 GLU F 88 202 GOL F B 1 FT #HET 168 168 GLU F 92 206 CAQ F S 1 FT #HET 169 169 THR F 88 202 GOL F B 1 FT #HET 171 171 ILE F 88 202 GOL F B 2 FT #HET 171 171 ILE F 92 206 CAQ F S 1 FT #HET 184 184 ARG F 88 202 GOL F A 3 FT #HET 185 185 PHE F 88 202 GOL F B 3 FT #HET 186 186 ASP F 88 202 GOL F A 8 FT #HET 188 188 ARG F 88 202 GOL F S 1 CC SEQUENCE 200 AA (ATOM); CC PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG CC HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV CC PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK CC TAYRFDIRIQ GEGETVFFDF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ATOM PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHIL CC ************************************************** CC SEQRES LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ATOM LLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFD CC ************************************************** CC SEQRES AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ATOM AGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQ CC ************************************************** CC SEQRES ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ATOM ANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF CC ************************************************** CC SEQRES CC ATOM CC SQ SEQUENCE 200 AA; MW; CN; PIELLPETPS QTAGPYVHIG LALEAAGNPT RDQEIWNRLA KPDAPGEHIL LLGQVYDGNG HLVRDSFLEV WQADANGEYQ DAYNLENAFN SFGRTATTFD AGEWTLHTVK PGVVNNAAGV PMAPHINISL FARGINIHLH TRLYFDDEAQ ANAKCPVLNL IEQPQRRETL IAKRCEVDGK TAYRFDIRIQ GEGETVFFDF // ID 3MI5R STANDARD; PRT; 238 AA. DT CONVERTED FROM PDB (SEQRES) 3MI5 DE Protocatechuate 3,4-dioxygenase beta chain OS Pseudomonas putida CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.780 CC R-Factor 0.153 FT #SUB 181 481 GLU R 1 1 PRO B Protein S 8 FT #SUB 207 507 LYS R 1 1 PRO B Protein S 3 FT #SUB 207 507 LYS R 2 2 ILE B Protein S 1 FT #SUB 208 508 LEU R 1 1 PRO B Protein B 3 FT #SUB 208 508 LEU R 2 2 ILE B Protein B 4 FT #SUB 209 509 ASP R 2 2 ILE B Protein S 4 FT #SUB 211 511 ASN R 2 2 ILE B Protein S 3 FT #SUB 211 511 ASN R 4 4 LEU B Protein S 6 FT #SUB 222 522 ARG R 2 2 ILE B Protein S 1 FT #SUB 61 361 HIS R 235 535 PHE N Protein S 3 FT #SUB 65 365 LEU R 238 538 CYS N Protein S 1 FT #SUB 79 379 ILE R 234 534 HIS N Protein S 3 FT #SUB 79 379 ILE R 235 535 PHE N Protein S 2 FT #SUB 138 438 SER R 235 535 PHE N Protein S 2 FT #SUB 139 439 PHE R 235 535 PHE N Protein B 1 FT #SUB 140 440 ARG R 235 535 PHE N Protein A 9 FT #SUB 140 440 ARG R 238 538 CYS N Protein S 10 FT #SUB 211 511 ASN R 9 309 VAL N Protein S 1 FT #SUB 211 511 ASN R 88 388 TYR N Protein A 2 FT #SUB 211 511 ASN R 231 531 ARG N Protein B 2 FT #SUB 212 512 ASN R 231 531 ARG N Protein A 3 FT #SUB 212 512 ASN R 234 534 HIS N Protein A 8 FT #SUB 213 513 ALA R 231 531 ARG N Protein B 2 FT #SUB 214 514 ASN R 231 531 ARG N Protein S 1 FT #SUB 214 514 ASN R 234 534 HIS N Protein S 6 FT #SUB 214 514 ASN R 235 535 PHE N Protein S 2 FT #SUB 72 372 LEU R 116 416 LEU O Protein S 1 FT #SUB 72 372 LEU R 118 418 PRO O Protein A 2 FT #SUB 73 373 PRO R 118 418 PRO O Protein B 2 FT #SUB 74 374 ILE R 74 374 ILE O Protein S 4 FT #SUB 74 374 ILE R 120 420 ASP O Protein S 5 FT #SUB 75 375 GLY R 104 404 ALA O Protein B 3 FT #SUB 75 375 GLY R 105 405 GLY O Protein B 7 FT #SUB 76 376 GLU R 104 404 ALA O Protein A 2 FT #SUB 76 376 GLU R 105 405 GLY O Protein B 1 FT #SUB 76 376 GLU R 145 445 GLY O Protein S 2 FT #SUB 76 376 GLU R 146 446 PRO O Protein S 5 FT #SUB 77 377 ARG R 115 415 TYR O Protein S 1 FT #SUB 77 377 ARG R 116 416 LEU O Protein S 5 FT #SUB 104 404 ALA R 75 375 GLY O Protein B 3 FT #SUB 104 404 ALA R 76 376 GLU O Protein B 2 FT #SUB 105 405 GLY R 75 375 GLY O Protein B 6 FT #SUB 105 405 GLY R 76 376 GLU O Protein B 1 FT #SUB 115 415 TYR R 77 377 ARG O Protein S 1 FT #SUB 115 415 TYR R 216 516 MET O Protein S 3 FT #SUB 115 415 TYR R 217 517 ASP O Protein S 4 FT #SUB 116 416 LEU R 72 372 LEU O Protein B 1 FT #SUB 116 416 LEU R 77 377 ARG O Protein S 5 FT #SUB 116 416 LEU R 216 516 MET O Protein S 2 FT #SUB 118 418 PRO R 72 372 LEU O Protein S 2 FT #SUB 118 418 PRO R 73 373 PRO O Protein S 2 FT #SUB 120 420 ASP R 74 374 ILE O Protein A 3 FT #SUB 145 445 GLY R 76 376 GLU O Protein B 1 FT #SUB 146 446 PRO R 76 376 GLU O Protein S 5 FT #SUB 146 446 PRO R 219 519 LEU O Protein S 1 FT #SUB 148 448 PRO R 216 516 MET O Protein A 6 FT #SUB 149 449 TRP R 216 516 MET O Protein B 3 FT #SUB 150 450 ARG R 216 516 MET O Protein S 1 FT #SUB 153 453 PRO R 215 515 PRO O Protein B 2 FT #SUB 154 454 ASN R 210 510 MET O Protein A 3 FT #SUB 154 454 ASN R 213 513 ALA O Protein S 2 FT #SUB 154 454 ASN R 215 515 PRO O Protein S 4 FT #SUB 156 456 TRP R 210 510 MET O Protein S 1 FT #SUB 156 456 TRP R 214 514 ASN O Protein S 1 FT #SUB 156 456 TRP R 217 517 ASP O Protein S 4 FT #SUB 156 456 TRP R 218 518 CYS O Protein S 8 FT #SUB 156 456 TRP R 219 519 LEU O Protein S 12 FT #SUB 181 481 GLU R 182 482 GLY O Protein B 1 FT #SUB 181 481 GLU R 184 484 PRO O Protein A 3 FT #SUB 182 482 GLY R 181 481 GLU O Protein B 1 FT #SUB 182 482 GLY R 182 482 GLY O Protein B 5 FT #SUB 184 484 PRO R 181 481 GLU O Protein S 3 FT #SUB 184 484 PRO R 208 508 LEU O Protein S 2 FT #SUB 184 484 PRO R 221 521 TYR O Protein S 1 FT #SUB 185 485 LEU R 208 508 LEU O Protein S 1 FT #SUB 185 485 LEU R 210 510 MET O Protein S 1 FT #SUB 185 485 LEU R 219 519 LEU O Protein S 1 FT #SUB 188 488 MET R 208 508 LEU O Protein S 1 FT #SUB 188 488 MET R 210 510 MET O Protein S 1 FT #SUB 208 508 LEU R 184 484 PRO O Protein S 2 FT #SUB 208 508 LEU R 185 485 LEU O Protein S 1 FT #SUB 208 508 LEU R 188 488 MET O Protein S 1 FT #SUB 210 510 MET R 154 454 ASN O Protein A 4 FT #SUB 210 510 MET R 156 456 TRP O Protein S 1 FT #SUB 210 510 MET R 185 485 LEU O Protein S 1 FT #SUB 210 510 MET R 188 488 MET O Protein S 1 FT #SUB 213 513 ALA R 154 454 ASN O Protein S 2 FT #SUB 214 514 ASN R 156 456 TRP O Protein B 1 FT #SUB 215 515 PRO R 153 453 PRO O Protein S 2 FT #SUB 215 515 PRO R 154 454 ASN O Protein A 6 FT #SUB 216 516 MET R 115 415 TYR O Protein B 3 FT #SUB 216 516 MET R 116 416 LEU O Protein B 1 FT #SUB 216 516 MET R 148 448 PRO O Protein A 7 FT #SUB 216 516 MET R 149 449 TRP O Protein S 3 FT #SUB 217 517 ASP R 115 415 TYR O Protein B 4 FT #SUB 217 517 ASP R 156 456 TRP O Protein B 4 FT #SUB 218 518 CYS R 156 456 TRP O Protein B 8 FT #SUB 219 519 LEU R 146 446 PRO O Protein S 1 FT #SUB 219 519 LEU R 156 456 TRP O Protein A 12 FT #SUB 219 519 LEU R 185 485 LEU O Protein S 1 FT #SUB 221 521 TYR R 184 484 PRO O Protein S 1 FT #SUB 34 334 GLN R 59 59 ASN D Protein S 8 FT #SUB 10 310 ILE R 153 453 PRO P Protein S 5 FT #SUB 10 310 ILE R 154 454 ASN P Protein S 1 FT #SUB 14 314 ASN R 23 323 ASP P Protein S 5 FT #SUB 33 333 ARG R 28 328 ILE P Protein B 1 FT #SUB 35 335 ALA R 25 325 LYS P Protein S 3 FT #SUB 35 335 ALA R 28 328 ILE P Protein A 2 FT #SUB 36 336 LEU R 25 325 LYS P Protein B 4 FT #SUB 38 338 SER R 25 325 LYS P Protein S 1 FT #SUB 38 338 SER R 151 451 ASN P Protein S 3 FT #SUB 38 338 SER R 152 452 GLY P Protein S 5 FT #SUB 38 338 SER R 153 453 PRO P Protein S 7 FT #SUB 150 450 ARG R 160 160 LEU E Protein S 2 FT #SUB 153 453 PRO R 199 199 ASP E Protein S 5 FT #SUB 188 488 MET R 1 1 PRO E Protein S 2 FT #SUB 23 323 ASP R 14 314 ASN Q Protein S 5 FT #SUB 25 325 LYS R 35 335 ALA Q Protein S 3 FT #SUB 25 325 LYS R 36 336 LEU Q Protein S 4 FT #SUB 25 325 LYS R 38 338 SER Q Protein S 1 FT #SUB 28 328 ILE R 33 333 ARG Q Protein S 1 FT #SUB 28 328 ILE R 35 335 ALA Q Protein S 2 FT #SUB 151 451 ASN R 38 338 SER Q Protein B 3 FT #SUB 152 452 GLY R 38 338 SER Q Protein B 5 FT #SUB 153 453 PRO R 10 310 ILE Q Protein S 5 FT #SUB 153 453 PRO R 38 338 SER Q Protein A 7 FT #SUB 154 454 ASN R 10 310 ILE Q Protein S 1 FT #SUB 1 301 PRO R 78 78 GLU F Protein S 3 FT #SUB 1 301 PRO R 79 79 TYR F Protein A 3 FT #SUB 1 301 PRO R 81 81 ASP F Protein B 1 FT #SUB 2 302 ALA R 79 79 TYR F Protein A 4 FT #SUB 2 302 ALA R 81 81 ASP F Protein A 5 FT #SUB 7 307 ARG R 117 117 ALA F Protein S 1 FT #SUB 9 309 VAL R 4 4 LEU F Protein S 1 FT #SUB 10 310 ILE R 200 200 PHE F Protein S 1 FT #SUB 11 311 ARG R 7 7 GLU F Protein S 7 FT #SUB 11 311 ARG R 140 140 HIS F Protein S 1 FT #SUB 13 313 ARG R 137 137 ILE F Protein S 2 FT #SUB 13 313 ARG R 199 199 ASP F Protein S 9 FT #SUB 15 315 TRP R 6 6 PRO F Protein S 4 FT #SUB 15 315 TRP R 7 7 GLU F Protein S 3 FT #SUB 16 316 HIS R 7 7 GLU F Protein S 7 FT #SUB 16 316 HIS R 8 8 THR F Protein S 1 FT #SUB 16 316 HIS R 9 9 PRO F Protein S 3 FT #SUB 16 316 HIS R 10 10 SER F Protein S 4 FT #SUB 16 316 HIS R 137 137 ILE F Protein S 3 FT #SUB 17 317 PRO R 10 10 SER F Protein S 4 FT #SUB 17 317 PRO R 136 136 ASN F Protein S 3 FT #SUB 17 317 PRO R 137 137 ILE F Protein B 1 FT #SUB 18 318 LYS R 136 136 ASN F Protein B 3 FT #SUB 19 319 ALA R 136 136 ASN F Protein B 1 FT #SUB 21 321 THR R 136 136 ASN F Protein S 4 FT #SUB 24 324 TYR R 12 12 THR F Protein S 5 FT #SUB 24 324 TYR R 133 133 ARG F Protein S 3 FT #SUB 24 324 TYR R 134 134 GLY F Protein S 6 FT #SUB 24 324 TYR R 136 136 ASN F Protein S 2 FT #SUB 26 326 THR R 133 133 ARG F Protein S 2 FT #SUB 26 326 THR R 134 134 GLY F Protein A 3 FT #SUB 27 327 SER R 134 134 GLY F Protein A 4 FT #SUB 28 328 ILE R 190 190 GLN F Protein B 4 FT #SUB 29 329 ALA R 57 57 ASP F Protein B 3 FT #SUB 29 329 ALA R 58 58 GLY F Protein B 3 FT #SUB 29 329 ALA R 59 59 ASN F Protein S 1 FT #SUB 29 329 ALA R 190 190 GLN F Protein B 4 FT #SUB 30 330 ARG R 63 63 VAL F Protein S 5 FT #SUB 30 330 ARG R 65 65 ASP F Protein S 5 FT #SUB 30 330 ARG R 133 133 ARG F Protein S 10 FT #SUB 30 330 ARG R 134 134 GLY F Protein A 2 FT #SUB 30 330 ARG R 135 135 ILE F Protein B 1 FT #SUB 30 330 ARG R 189 189 ILE F Protein B 3 FT #SUB 31 331 SER R 189 189 ILE F Protein B 2 FT #SUB 31 331 SER R 190 190 GLN F Protein A 7 FT #SUB 32 332 PRO R 139 139 LEU F Protein S 1 FT #SUB 32 332 PRO R 189 189 ILE F Protein A 4 FT #SUB 32 332 PRO R 194 194 GLU F Protein A 5 FT #SUB 32 332 PRO R 197 197 PHE F Protein S 1 FT #SUB 33 333 ARG R 190 190 GLN F Protein S 4 FT #SUB 33 333 ARG R 194 194 GLU F Protein A 6 FT #SUB 34 334 GLN R 166 166 ARG F Protein S 3 FT #SUB 34 334 GLN R 194 194 GLU F Protein A 8 FT #SUB 36 336 LEU R 197 197 PHE F Protein A 5 FT #SUB 37 337 VAL R 160 160 LEU F Protein S 1 FT #SUB 37 337 VAL R 196 196 VAL F Protein S 1 FT #SUB 37 337 VAL R 197 197 PHE F Protein A 4 FT #SUB 37 337 VAL R 198 198 PHE F Protein A 5 FT #SUB 37 337 VAL R 199 199 ASP F Protein B 3 FT #SUB 38 338 SER R 199 199 ASP F Protein B 2 FT #SUB 39 339 ILE R 160 160 LEU F Protein S 1 FT #SUB 39 339 ILE R 198 198 PHE F Protein S 3 FT #SUB 39 339 ILE R 199 199 ASP F Protein A 3 FT #SUB 39 339 ILE R 200 200 PHE F Protein A 5 FT #SUB 40 340 PRO R 160 160 LEU F Protein S 1 FT #SUB 41 341 GLN R 117 117 ALA F Protein B 1 FT #SUB 41 341 GLN R 200 200 PHE F Protein S 3 FT #SUB 42 342 SER R 122 122 MET F Protein S 3 FT #SUB 42 342 SER R 142 142 ARG F Protein S 1 FT #SUB 43 343 ILE R 114 114 VAL F Protein S 1 FT #SUB 43 343 ILE R 115 115 ASN F Protein S 1 FT #SUB 44 344 SER R 71 71 TRP F Protein B 2 FT #SUB 44 344 SER R 79 79 TYR F Protein A 6 FT #SUB 44 344 SER R 122 122 MET F Protein S 1 FT #SUB 44 344 SER R 125 125 HIS F Protein S 4 FT #SUB 44 344 SER R 127 127 ASN F Protein A 5 FT #SUB 44 344 SER R 142 142 ARG F Protein S 2 FT #SUB 45 345 GLU R 127 127 ASN F Protein S 1 FT #SUB 45 345 GLU R 142 142 ARG F Protein S 5 FT #SUB 45 345 GLU R 200 200 PHE F Protein S 8 FT #SUB 47 347 THR R 71 71 TRP F Protein A 9 FT #SUB 48 348 GLY R 71 71 TRP F Protein B 9 FT #SUB 48 348 GLY R 81 81 ASP F Protein B 1 FT #SUB 49 349 PRO R 71 71 TRP F Protein A 4 FT #SUB 49 349 PRO R 81 81 ASP F Protein B 2 FT #SUB 49 349 PRO R 92 92 PHE F Protein S 7 FT #SUB 50 350 ASN R 81 81 ASP F Protein A 6 FT #SUB 50 350 ASN R 82 82 ALA F Protein B 1 FT #SUB 50 350 ASN R 83 83 TYR F Protein B 3 FT #SUB 51 351 PHE R 35 35 ILE F Protein S 2 FT #SUB 51 351 PHE R 83 83 TYR F Protein S 6 FT #SUB 51 351 PHE R 92 92 PHE F Protein S 2 FT #SUB 53 353 HIS R 83 83 TYR F Protein A 2 FT #SUB 53 353 HIS R 84 84 ASN F Protein S 1 FT #SUB 54 354 LEU R 33 33 GLN F Protein A 2 FT #SUB 54 354 LEU R 83 83 TYR F Protein B 1 FT #SUB 55 355 GLY R 33 33 GLN F Protein B 6 FT #SUB 86 386 ASP R 5 5 LEU F Protein B 1 FT #SUB 87 387 GLN R 4 4 LEU F Protein A 2 FT #SUB 87 387 GLN R 5 5 LEU F Protein A 10 FT #SUB 87 387 GLN R 7 7 GLU F Protein S 1 FT #SUB 88 388 TYR R 4 4 LEU F Protein S 4 FT #SUB 96 396 LEU R 35 35 ILE F Protein S 1 FT #SUB 98 398 GLU R 21 21 LEU F Protein S 3 FT #SUB 98 398 GLU R 94 94 ARG F Protein S 9 FT #SUB 100 400 TRP R 13 13 ALA F Protein S 1 FT #SUB 100 400 TRP R 16 16 TYR F Protein S 2 FT #SUB 100 400 TRP R 17 17 VAL F Protein S 3 FT #SUB 100 400 TRP R 19 19 ILE F Protein S 1 FT #SUB 100 400 TRP R 20 20 GLY F Protein S 6 FT #SUB 100 400 TRP R 21 21 LEU F Protein S 2 FT #SUB 108 408 TYR R 16 16 TYR F Protein S 6 FT #SUB 108 408 TYR R 19 19 ILE F Protein S 2 FT #SUB 109 409 ARG R 19 19 ILE F Protein B 3 FT #SUB 109 409 ARG R 28 28 ASN F Protein A 8 FT #SUB 110 410 HIS R 15 15 PRO F Protein S 1 FT #SUB 110 410 HIS R 16 16 TYR F Protein S 9 FT #SUB 110 410 HIS R 18 18 HIS F Protein S 5 FT #SUB 110 410 HIS R 19 19 ILE F Protein S 3 FT #SUB 110 410 HIS R 26 26 ALA F Protein A 4 FT #SUB 110 410 HIS R 99 99 PHE F Protein S 1 FT #SUB 111 411 LYS R 25 25 ALA F Protein S 3 FT #SUB 111 411 LYS R 26 26 ALA F Protein A 6 FT #SUB 111 411 LYS R 27 27 GLY F Protein S 2 FT #SUB 112 412 ASN R 16 16 TYR F Protein A 4 FT #SUB 112 412 ASN R 99 99 PHE F Protein S 5 FT #SUB 113 413 ASP R 16 16 TYR F Protein A 8 FT #SUB 125 425 GLY R 19 19 ILE F Protein B 2 FT #SUB 126 426 VAL R 19 19 ILE F Protein S 3 FT #SUB 126 426 VAL R 20 20 GLY F Protein S 2 FT #SUB 126 426 VAL R 31 31 ARG F Protein S 1 FT #SUB 128 428 ARG R 31 31 ARG F Protein S 14 FT #SUB 128 428 ARG R 33 33 GLN F Protein S 3 FT #SUB 162 462 TYR R 12 12 THR F Protein S 2 FT #SUB 162 462 TYR R 13 13 ALA F Protein S 3 FT #SUB 170 470 ILE R 71 71 TRP F Protein S 4 FT #SUB 170 470 ILE R 127 127 ASN F Protein S 1 FT #SUB 171 471 ALA R 200 200 PHE F Protein A 2 FT #SUB 173 473 LYS R 69 69 GLU F Protein S 6 FT #SUB 173 473 LYS R 131 131 PHE F Protein S 2 FT #SUB 173 473 LYS R 138 138 HIS F Protein B 2 FT #SUB 174 474 LEU R 8 8 THR F Protein S 4 FT #SUB 174 474 LEU R 10 10 SER F Protein S 2 FT #SUB 175 475 ILE R 10 10 SER F Protein B 4 FT #SUB 175 475 ILE R 11 11 GLN F Protein A 4 FT #SUB 175 475 ILE R 13 13 ALA F Protein S 2 FT #SUB 175 475 ILE R 21 21 LEU F Protein S 1 FT #SUB 175 475 ILE R 131 131 PHE F Protein S 2 FT #SUB 176 476 THR R 9 9 PRO F Protein S 3 FT #SUB 176 476 THR R 11 11 GLN F Protein A 3 FT #SUB 177 477 GLN R 11 11 GLN F Protein A 4 FT #SUB 177 477 GLN R 12 12 THR F Protein S 4 FT #SUB 179 479 TYR R 11 11 GLN F Protein S 4 FT #SUB 191 491 ILE R 11 11 GLN F Protein A 5 FT #SUB 192 492 VAL R 11 11 GLN F Protein B 1 FT #SUB 194 494 SER R 11 11 GLN F Protein S 1 FT #SUB 194 494 SER R 136 136 ASN F Protein S 2 FT #SUB 195 495 ILE R 9 9 PRO F Protein S 2 FT #SUB 195 495 ILE R 11 11 GLN F Protein S 3 FT #SUB 200 500 ALA R 9 9 PRO F Protein B 2 FT #SUB 203 503 GLN R 6 6 PRO F Protein S 6 FT #SUB 203 503 GLN R 7 7 GLU F Protein S 4 FT #SUB 203 503 GLN R 8 8 THR F Protein S 4 FT #SUB 204 504 LEU R 8 8 THR F Protein S 1 FT #SUB 204 504 LEU R 9 9 PRO F Protein S 4 FT #SUB 204 504 LEU R 11 11 GLN F Protein S 2 FT #SUB 225 525 ILE R 8 8 THR F Protein A 3 FT #SUB 226 526 VAL R 6 6 PRO F Protein S 3 FT #SUB 226 526 VAL R 7 7 GLU F Protein B 3 FT #SUB 226 526 VAL R 8 8 THR F Protein B 8 FT #SUB 228 528 ARG R 7 7 GLU F Protein S 3 FT #SUB 228 528 ARG R 200 200 PHE F Protein S 8 FT #SUB 237 537 ASN R 117 117 ALA F Protein S 3 FT #SUB 237 537 ASN R 118 118 ALA F Protein S 2 FT #HET 5 305 ASN R 96 21 BME R B 1 FT #HET 6 306 SER R 96 21 BME R S 1 FT #HET 7 307 ARG R 98 13 GOL R S 11 FT #HET 8 308 PHE R 98 13 GOL R B 1 FT #HET 10 310 ILE R 98 13 GOL R S 1 FT #HET 33 333 ARG R 97 23 GOL R A 8 FT #HET 38 338 SER R 63 17 GOL P A 6 FT #HET 39 339 ILE R 63 17 GOL P B 5 FT #HET 40 340 PRO R 63 17 GOL P A 15 FT #HET 40 340 PRO R 98 13 GOL R A 3 FT #HET 41 341 GLN R 98 13 GOL R A 16 FT #HET 66 366 ASN R 91 205 BME F B 1 FT #HET 67 367 PHE R 91 205 BME F S 2 FT #HET 83 383 ARG R 102 540 BME R S 9 FT #HET 108 408 TYR R 94 600 FE R S 3 FT #HET 108 408 TYR R 100 1 CAQ R S 5 FT #HET 109 409 ARG R 99 3 SO4 R S 8 FT #HET 119 419 LEU R 99 3 SO4 R S 1 FT #HET 120 420 ASP R 99 3 SO4 R B 2 FT #HET 121 421 PRO R 99 3 SO4 R A 5 FT #HET 147 447 HIS R 100 1 CAQ R S 6 FT #HET 149 449 TRP R 100 1 CAQ R S 8 FT #HET 150 450 ARG R 101 539 CL R S 1 FT #HET 157 457 ARG R 94 600 FE R S 1 FT #HET 157 457 ARG R 100 1 CAQ R S 8 FT #HET 160 460 HIS R 94 600 FE R S 3 FT #HET 160 460 HIS R 100 1 CAQ R S 2 FT #HET 162 462 TYR R 94 600 FE R S 3 FT #HET 162 462 TYR R 100 1 CAQ R S 4 FT #HET 203 503 GLN R 95 15 GOL R B 5 FT #HET 205 505 ILE R 95 15 GOL R B 5 FT #HET 207 507 LYS R 95 15 GOL R A 4 FT #HET 215 515 PRO R 29 18 BME N S 3 FT #HET 216 516 MET R 46 9 BME O S 2 FT #HET 222 522 ARG R 95 15 GOL R A 8 FT #HET 223 523 PHE R 95 15 GOL R A 6 FT #HET 224 524 ASP R 95 15 GOL R A 13 FT #HET 230 530 GLN R 96 21 BME R S 4 FT #HET 231 531 ARG R 96 21 BME R B 1 FT #HET 231 531 ARG R 98 13 GOL R S 3 FT #HET 232 532 LYS R 96 21 BME R S 1 FT #HET 236 536 GLU R 98 13 GOL R S 3 CC SEQUENCE 238 AA (ATOM); CC PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD CC HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD CC PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF CC EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ATOM PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGPN CC ************************************************** CC SEQRES FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ATOM FSHLGFGAHDHDLLLNFNNGGLPIGERIIVAGRVVDQYGKPVPNTLVEMW CC ************************************************** CC SEQRES QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ATOM QANAGGRYRHKNDRYLAPLDPNFGGVGRCLTDSDGYYSFRTIKPGPHPWR CC ************************************************** CC SEQRES NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ATOM NGPNDWRPAHIYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA CC ************************************************** CC SEQRES VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ATOM VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC CC ************************************** SQ SEQUENCE 238 AA; MW; CN; PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN FSHLGFGAHD HDLLLNFNNG GLPIGERIIV AGRVVDQYGK PVPNTLVEMW QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPHPWR NGPNDWRPAH IYFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFENC //