ID 1IWBA STANDARD; PRT; 554 AA. DT CONVERTED FROM PDB (SEQRES) 1IWB DE DIOL DEHYDRATASE alpha chain OS Klebsiella oxytoca CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.181 FT #SUB 17 17 ASP A 194 194 PRO B Protein B 1 FT #SUB 18 18 GLY A 194 194 PRO B Protein B 2 FT #SUB 23 23 TRP A 202 202 ILE B Protein S 1 FT #SUB 26 26 GLU A 205 205 ILE B Protein S 2 FT #SUB 26 26 GLU A 209 209 LYS B Protein S 4 FT #SUB 28 28 PHE A 198 198 ALA B Protein S 1 FT #SUB 28 28 PHE A 202 202 ILE B Protein S 1 FT #SUB 147 147 VAL A 186 186 THR B Protein A 2 FT #SUB 174 174 ALA A 186 186 THR B Protein S 1 FT #SUB 177 177 ARG A 151 151 LEU B Protein S 2 FT #SUB 177 177 ARG A 175 175 TYR B Protein S 1 FT #SUB 204 204 GLU A 146 146 PRO B Protein S 1 FT #SUB 204 204 GLU A 148 148 LEU B Protein S 4 FT #SUB 234 234 ASP A 110 110 SER B Protein S 4 FT #SUB 234 234 ASP A 112 112 ASP B Protein A 4 FT #SUB 234 234 ASP A 115 115 PHE B Protein B 1 FT #SUB 235 235 GLY A 148 148 LEU B Protein B 2 FT #SUB 236 236 ASP A 115 115 PHE B Protein S 2 FT #SUB 236 236 ASP A 147 147 PRO B Protein S 2 FT #SUB 236 236 ASP A 148 148 LEU B Protein S 1 FT #SUB 266 266 VAL A 201 201 ALA B Protein B 1 FT #SUB 266 266 VAL A 205 205 ILE B Protein B 2 FT #SUB 267 267 GLN A 197 197 GLN B Protein S 5 FT #SUB 267 267 GLN A 200 200 SER B Protein S 2 FT #SUB 267 267 GLN A 201 201 ALA B Protein A 4 FT #SUB 267 267 GLN A 204 204 HIS B Protein B 1 FT #SUB 268 268 MET A 204 204 HIS B Protein B 5 FT #SUB 269 269 GLY A 204 204 HIS B Protein B 2 FT #SUB 269 269 GLY A 205 205 ILE B Protein B 1 FT #SUB 269 269 GLY A 208 208 THR B Protein B 1 FT #SUB 270 270 TYR A 208 208 THR B Protein S 4 FT #SUB 301 301 SER A 193 193 ARG B Protein B 5 FT #SUB 301 301 SER A 197 197 GLN B Protein B 3 FT #SUB 302 302 CYS A 197 197 GLN B Protein B 6 FT #SUB 303 303 ILE A 197 197 GLN B Protein B 2 FT #SUB 304 304 GLY A 197 197 GLN B Protein B 4 FT #SUB 305 305 VAL A 197 197 GLN B Protein A 2 FT #SUB 336 336 GLN A 193 193 ARG B Protein A 12 FT #SUB 337 337 THR A 190 190 GLN B Protein S 3 FT #SUB 337 337 THR A 193 193 ARG B Protein A 10 FT #SUB 337 337 THR A 194 194 PRO B Protein A 5 FT #SUB 338 338 PHE A 194 194 PRO B Protein B 7 FT #SUB 339 339 THR A 191 191 MET B Protein B 2 FT #SUB 339 339 THR A 194 194 PRO B Protein B 2 FT #SUB 340 340 HIS A 191 191 MET B Protein A 8 FT #SUB 340 340 HIS A 194 194 PRO B Protein S 1 FT #SUB 340 340 HIS A 195 195 LYS B Protein S 5 FT #SUB 369 369 ASN A 188 188 ASN B Protein B 1 FT #SUB 369 369 ASN A 190 190 GLN B Protein A 3 FT #SUB 370 370 TYR A 188 188 ASN B Protein B 1 FT #SUB 370 370 TYR A 190 190 GLN B Protein B 1 FT #SUB 372 372 ASN A 188 188 ASN B Protein B 3 FT #SUB 374 374 PHE A 193 193 ARG B Protein B 3 FT #SUB 375 375 ALA A 156 156 GLN B Protein S 1 FT #SUB 375 375 ALA A 188 188 ASN B Protein B 2 FT #SUB 375 375 ALA A 190 190 GLN B Protein B 3 FT #SUB 375 375 ALA A 193 193 ARG B Protein A 3 FT #SUB 376 376 GLY A 193 193 ARG B Protein B 1 FT #SUB 59 59 PHE A 165 165 GLU G Protein B 1 FT #SUB 59 59 PHE A 166 166 ARG G Protein B 2 FT #SUB 60 60 ASP A 166 166 ARG G Protein A 5 FT #SUB 61 61 LEU A 162 162 LEU G Protein S 1 FT #SUB 61 61 LEU A 166 166 ARG G Protein S 2 FT #SUB 64 64 HIS A 162 162 LEU G Protein S 5 FT #SUB 64 64 HIS A 165 165 GLU G Protein S 3 FT #SUB 68 68 ARG A 158 158 GLU G Protein S 6 FT #SUB 68 68 ARG A 162 162 LEU G Protein S 1 FT #SUB 69 69 TYR A 100 100 ARG G Protein B 7 FT #SUB 69 69 TYR A 158 158 GLU G Protein S 6 FT #SUB 70 70 GLY A 100 100 ARG G Protein B 1 FT #SUB 71 71 ILE A 100 100 ARG G Protein B 4 FT #SUB 72 72 ASN A 100 100 ARG G Protein B 2 FT #SUB 204 204 GLU A 127 127 ARG G Protein S 4 FT #SUB 205 205 GLU A 123 123 TYR G Protein S 4 FT #SUB 205 205 GLU A 127 127 ARG G Protein S 1 FT #SUB 206 206 ALA A 120 120 LEU G Protein B 1 FT #SUB 206 206 ALA A 127 127 ARG G Protein S 1 FT #SUB 210 210 LYS A 117 117 ASP G Protein S 1 FT #SUB 210 210 LYS A 120 120 LEU G Protein S 2 FT #SUB 213 213 MET A 116 116 ASP G Protein S 12 FT #SUB 213 213 MET A 119 119 ILE G Protein S 1 FT #SUB 229 229 GLU A 166 166 ARG G Protein S 12 FT #SUB 229 229 GLU A 168 168 LYS G Protein S 1 FT #SUB 233 233 THR A 129 129 TYR G Protein S 3 FT #SUB 233 233 THR A 168 168 LYS G Protein S 4 FT #SUB 236 236 ASP A 127 127 ARG G Protein A 10 FT #SUB 236 236 ASP A 128 128 PRO G Protein A 4 FT #SUB 236 236 ASP A 130 130 ARG G Protein S 8 FT #SUB 237 237 ASP A 123 123 TYR G Protein S 5 FT #SUB 237 237 ASP A 127 127 ARG G Protein S 1 FT #SUB 237 237 ASP A 128 128 PRO G Protein B 7 FT #SUB 238 238 THR A 126 126 LEU G Protein S 2 FT #SUB 238 238 THR A 163 163 TYR G Protein S 7 FT #SUB 240 240 TRP A 155 155 PHE G Protein A 13 FT #SUB 240 240 TRP A 158 158 GLU G Protein S 10 FT #SUB 240 240 TRP A 159 159 ALA G Protein S 3 FT #SUB 240 240 TRP A 162 162 LEU G Protein S 2 FT #SUB 240 240 TRP A 163 163 TYR G Protein S 1 FT #SUB 241 241 SER A 123 123 TYR G Protein A 4 FT #SUB 241 241 SER A 126 126 LEU G Protein A 5 FT #SUB 241 241 SER A 163 163 TYR G Protein B 1 FT #SUB 243 243 GLY A 107 107 ARG G Protein B 2 FT #SUB 244 244 PHE A 111 111 LEU G Protein S 2 FT #SUB 244 244 PHE A 119 119 ILE G Protein S 1 FT #SUB 244 244 PHE A 122 122 ILE G Protein S 4 FT #SUB 244 244 PHE A 123 123 TYR G Protein S 6 FT #SUB 244 244 PHE A 126 126 LEU G Protein S 2 FT #SUB 244 244 PHE A 155 155 PHE G Protein B 1 FT #SUB 245 245 LEU A 123 123 TYR G Protein S 5 FT #SUB 246 246 ALA A 104 104 ASN G Protein B 2 FT #SUB 247 247 SER A 104 104 ASN G Protein A 6 FT #SUB 247 247 SER A 107 107 ARG G Protein S 7 FT #SUB 247 247 SER A 108 108 ALA G Protein A 3 FT #SUB 247 247 SER A 111 111 LEU G Protein S 1 FT #SUB 248 248 SER A 111 111 LEU G Protein A 2 FT #SUB 248 248 SER A 119 119 ILE G Protein S 2 FT #SUB 250 250 ALA A 86 86 LEU G Protein B 2 FT #SUB 250 250 ALA A 108 108 ALA G Protein A 2 FT #SUB 251 251 SER A 81 81 ILE G Protein B 1 FT #SUB 251 251 SER A 108 108 ALA G Protein A 6 FT #SUB 251 251 SER A 111 111 LEU G Protein S 2 FT #SUB 251 251 SER A 112 112 THR G Protein A 2 FT #SUB 252 252 ARG A 80 80 ARG G Protein S 4 FT #SUB 252 252 ARG A 81 81 ILE G Protein B 1 FT #SUB 252 252 ARG A 111 111 LEU G Protein S 2 FT #SUB 252 252 ARG A 112 112 THR G Protein S 1 FT #SUB 252 252 ARG A 114 114 VAL G Protein S 4 FT #SUB 252 252 ARG A 115 115 PRO G Protein S 1 FT #SUB 252 252 ARG A 116 116 ASP G Protein S 6 FT #SUB 252 252 ARG A 119 119 ILE G Protein S 1 FT #SUB 253 253 GLY A 81 81 ILE G Protein B 2 FT #SUB 288 288 LYS A 100 100 ARG G Protein B 2 FT #SUB 289 289 ALA A 100 100 ARG G Protein B 1 FT #SUB 290 290 ALA A 104 104 ASN G Protein B 1 FT #SUB 290 290 ALA A 107 107 ARG G Protein B 3 FT #SUB 291 291 GLY A 100 100 ARG G Protein B 3 FT #SUB 291 291 GLY A 101 101 LEU G Protein B 4 FT #SUB 291 291 GLY A 104 104 ASN G Protein B 6 FT #SUB 327 327 ASP A 98 98 ARG G Protein A 12 FT #SUB 469 469 ASN A 76 76 ALA G Protein S 1 FT #SUB 471 471 LEU A 75 75 THR G Protein S 1 FT #SUB 471 471 LEU A 76 76 ALA G Protein S 2 FT #SUB 471 471 LEU A 79 79 MET G Protein S 2 FT #SUB 475 475 LYS A 72 72 ASN G Protein S 1 FT #SUB 478 478 ALA A 66 66 LEU G Protein S 1 FT #SUB 483 483 THR A 66 66 LEU G Protein A 2 FT #SUB 486 486 ALA A 66 66 LEU G Protein S 1 FT #SUB 487 487 GLN A 66 66 LEU G Protein B 1 FT #SUB 490 490 LEU A 65 65 THR G Protein S 2 FT #SUB 490 490 LEU A 66 66 LEU G Protein S 2 FT #SUB 490 490 LEU A 69 69 VAL G Protein S 1 FT #SUB 493 493 GLN A 79 79 MET G Protein S 1 FT #SUB 494 494 LYS A 61 61 LEU G Protein S 1 FT #SUB 494 494 LYS A 64 64 PHE G Protein S 4 FT #SUB 496 496 LYS A 81 81 ILE G Protein B 2 FT #SUB 497 497 LEU A 53 53 VAL G Protein B 1 FT #SUB 497 497 LEU A 79 79 MET G Protein S 3 FT #SUB 497 497 LEU A 80 80 ARG G Protein S 1 FT #SUB 497 497 LEU A 81 81 ILE G Protein B 2 FT #SUB 497 497 LEU A 85 85 THR G Protein B 1 FT #SUB 498 498 THR A 45 45 LEU G Protein B 1 FT #SUB 498 498 THR A 53 53 VAL G Protein B 1 FT #SUB 498 498 THR A 61 61 LEU G Protein S 2 FT #SUB 498 498 THR A 85 85 THR G Protein B 2 FT #SUB 498 498 THR A 89 89 GLN G Protein B 3 FT #SUB 499 499 GLY A 81 81 ILE G Protein B 2 FT #SUB 499 499 GLY A 89 89 GLN G Protein B 8 FT #SUB 500 500 ASP A 43 43 TYR G Protein A 10 FT #SUB 500 500 ASP A 44 44 PRO G Protein S 9 FT #SUB 500 500 ASP A 45 45 LEU G Protein S 8 FT #SUB 500 500 ASP A 46 46 ALA G Protein S 3 FT #SUB 500 500 ASP A 89 89 GLN G Protein A 6 FT #SUB 502 502 LEU A 86 86 LEU G Protein S 1 FT #SUB 502 502 LEU A 105 105 PHE G Protein A 4 FT #SUB 503 503 HIS A 43 43 TYR G Protein S 4 FT #SUB 503 503 HIS A 89 89 GLN G Protein S 8 FT #SUB 503 503 HIS A 92 92 ILE G Protein S 1 FT #SUB 503 503 HIS A 93 93 ALA G Protein S 2 FT #SUB 504 504 THR A 98 98 ARG G Protein S 7 FT #SUB 504 504 THR A 101 101 LEU G Protein S 1 FT #SUB 513 513 GLN A 47 47 ASN G Protein S 2 FT #SUB 514 514 VAL A 43 43 TYR G Protein S 1 FT #SUB 514 514 VAL A 44 44 PRO G Protein S 2 FT #SUB 516 516 SER A 43 43 TYR G Protein S 4 FT #SUB 517 517 ALA A 98 98 ARG G Protein S 1 FT #SUB 518 518 VAL A 43 43 TYR G Protein S 5 FT #SUB 519 519 ASN A 43 43 TYR G Protein S 1 FT #SUB 1 1 MET A 441 441 TYR L Protein A 12 FT #SUB 2 2 ARG A 405 405 GLU L Protein A 10 FT #SUB 2 2 ARG A 441 441 TYR L Protein B 4 FT #SUB 3 3 SER A 405 405 GLU L Protein A 2 FT #SUB 3 3 SER A 409 409 ILE L Protein S 1 FT #SUB 3 3 SER A 441 441 TYR L Protein B 1 FT #SUB 4 4 LYS A 441 441 TYR L Protein A 8 FT #SUB 4 4 LYS A 442 442 ALA L Protein S 1 FT #SUB 4 4 LYS A 443 443 HIS L Protein A 4 FT #SUB 4 4 LYS A 447 447 ASP L Protein S 7 FT #SUB 5 5 ARG A 157 157 ASP L Protein S 2 FT #SUB 5 5 ARG A 160 160 GLU L Protein S 8 FT #SUB 5 5 ARG A 366 366 ALA L Protein S 3 FT #SUB 5 5 ARG A 367 367 VAL L Protein S 1 FT #SUB 5 5 ARG A 368 368 PRO L Protein S 1 FT #SUB 5 5 ARG A 381 381 ALA L Protein S 2 FT #SUB 5 5 ARG A 412 412 ARG L Protein S 1 FT #SUB 5 5 ARG A 442 442 ALA L Protein S 1 FT #SUB 5 5 ARG A 443 443 HIS L Protein A 11 FT #SUB 6 6 PHE A 164 164 ARG L Protein S 2 FT #SUB 6 6 PHE A 403 403 VAL L Protein S 3 FT #SUB 6 6 PHE A 404 404 ARG L Protein S 1 FT #SUB 6 6 PHE A 405 405 GLU L Protein S 15 FT #SUB 6 6 PHE A 408 408 VAL L Protein S 3 FT #SUB 8 8 ALA A 443 443 HIS L Protein S 3 FT #SUB 9 9 LEU A 164 164 ARG L Protein S 1 FT #SUB 9 9 LEU A 381 381 ALA L Protein S 1 FT #SUB 9 9 LEU A 382 382 GLU L Protein S 1 FT #SUB 9 9 LEU A 385 385 ASP L Protein A 6 FT #SUB 12 12 ARG A 382 382 GLU L Protein S 10 FT #SUB 12 12 ARG A 383 383 ASP L Protein S 8 FT #SUB 12 12 ARG A 386 386 ASP L Protein S 4 FT #SUB 14 14 VAL A 386 386 ASP L Protein S 5 FT #SUB 14 14 VAL A 389 389 VAL L Protein S 1 FT #SUB 15 15 ASN A 385 385 ASP L Protein S 5 FT #SUB 19 19 PHE A 389 389 VAL L Protein S 3 FT #SUB 19 19 PHE A 392 392 ARG L Protein S 1 FT #SUB 19 19 PHE A 544 544 ILE L Protein S 3 FT #SUB 19 19 PHE A 546 546 GLY L Protein A 2 FT #SUB 19 19 PHE A 547 547 ALA L Protein A 4 FT #SUB 19 19 PHE A 548 548 LEU L Protein B 6 FT #SUB 20 20 VAL A 392 392 ARG L Protein B 2 FT #SUB 20 20 VAL A 548 548 LEU L Protein A 4 FT #SUB 21 21 LYS A 547 547 ALA L Protein S 1 FT #SUB 21 21 LYS A 548 548 LEU L Protein B 2 FT #SUB 21 21 LYS A 549 549 ASP L Protein S 4 FT #SUB 21 21 LYS A 550 550 PRO L Protein A 8 FT #SUB 23 23 TRP A 550 550 PRO L Protein S 6 FT #SUB 85 85 VAL A 527 527 PRO L Protein S 1 FT #SUB 88 88 ALA A 527 527 PRO L Protein A 4 FT #SUB 89 89 ASN A 95 95 ASN L Protein S 7 FT #SUB 89 89 ASN A 525 525 ALA L Protein S 1 FT #SUB 89 89 ASN A 527 527 PRO L Protein B 3 FT #SUB 92 92 CYS A 127 127 MET L Protein S 1 FT #SUB 92 92 CYS A 527 527 PRO L Protein S 2 FT #SUB 93 93 ASP A 93 93 ASP L Protein S 1 FT #SUB 93 93 ASP A 95 95 ASN L Protein S 2 FT #SUB 94 94 PRO A 94 94 PRO L Protein S 1 FT #SUB 95 95 ASN A 89 89 ASN L Protein S 8 FT #SUB 95 95 ASN A 93 93 ASP L Protein S 1 FT #SUB 119 119 HIS A 527 527 PRO L Protein B 3 FT #SUB 119 119 HIS A 528 528 ALA L Protein B 1 FT #SUB 119 119 HIS A 532 532 ARG L Protein B 1 FT #SUB 121 121 ASN A 130 130 GLN L Protein S 3 FT #SUB 121 121 ASN A 532 532 ARG L Protein A 5 FT #SUB 123 123 VAL A 126 126 MET L Protein S 2 FT #SUB 123 123 VAL A 127 127 MET L Protein S 2 FT #SUB 123 123 VAL A 130 130 GLN L Protein S 1 FT #SUB 123 123 VAL A 354 354 LEU L Protein S 3 FT #SUB 123 123 VAL A 355 355 PRO L Protein S 2 FT #SUB 124 124 GLU A 130 130 GLN L Protein S 1 FT #SUB 124 124 GLU A 524 524 TYR L Protein S 5 FT #SUB 124 124 GLU A 526 526 GLY L Protein S 3 FT #SUB 124 124 GLU A 527 527 PRO L Protein S 9 FT #SUB 124 124 GLU A 532 532 ARG L Protein S 8 FT #SUB 126 126 MET A 123 123 VAL L Protein B 2 FT #SUB 126 126 MET A 126 126 MET L Protein S 1 FT #SUB 126 126 MET A 354 354 LEU L Protein S 1 FT #SUB 127 127 MET A 92 92 CYS L Protein S 1 FT #SUB 127 127 MET A 123 123 VAL L Protein B 2 FT #SUB 127 127 MET A 127 127 MET L Protein S 5 FT #SUB 130 130 GLN A 121 121 ASN L Protein S 3 FT #SUB 130 130 GLN A 123 123 VAL L Protein S 1 FT #SUB 157 157 ASP A 5 5 ARG L Protein S 4 FT #SUB 160 160 GLU A 5 5 ARG L Protein S 8 FT #SUB 164 164 ARG A 6 6 PHE L Protein S 2 FT #SUB 164 164 ARG A 9 9 LEU L Protein S 1 FT #SUB 307 307 SER A 393 393 ASP L Protein B 1 FT #SUB 308 308 ALA A 392 392 ARG L Protein B 4 FT #SUB 309 309 VAL A 392 392 ARG L Protein B 3 FT #SUB 310 310 PRO A 392 392 ARG L Protein A 11 FT #SUB 310 310 PRO A 538 538 TRP L Protein S 2 FT #SUB 310 310 PRO A 542 542 LYS L Protein S 4 FT #SUB 311 311 SER A 392 392 ARG L Protein B 3 FT #SUB 311 311 SER A 393 393 ASP L Protein B 5 FT #SUB 311 311 SER A 395 395 LYS L Protein S 1 FT #SUB 312 312 GLY A 393 393 ASP L Protein B 1 FT #SUB 313 313 ILE A 393 393 ASP L Protein A 8 FT #SUB 313 313 ILE A 394 394 LEU L Protein S 2 FT #SUB 314 314 ARG A 393 393 ASP L Protein B 1 FT #SUB 314 314 ARG A 394 394 LEU L Protein S 2 FT #SUB 314 314 ARG A 395 395 LYS L Protein S 1 FT #SUB 341 341 SER A 386 386 ASP L Protein S 3 FT #SUB 342 342 ASP A 342 342 ASP L Protein S 1 FT #SUB 343 343 MET A 345 345 ARG L Protein S 1 FT #SUB 343 343 MET A 346 346 THR L Protein A 6 FT #SUB 343 343 MET A 383 383 ASP L Protein S 2 FT #SUB 343 343 MET A 386 386 ASP L Protein S 1 FT #SUB 344 344 ARG A 389 389 VAL L Protein S 3 FT #SUB 344 344 ARG A 393 393 ASP L Protein S 10 FT #SUB 345 345 ARG A 343 343 MET L Protein S 1 FT #SUB 346 346 THR A 343 343 MET L Protein S 6 FT #SUB 346 346 THR A 346 346 THR L Protein S 2 FT #SUB 347 347 ALA A 350 350 LEU L Protein A 2 FT #SUB 350 350 LEU A 347 347 ALA L Protein S 2 FT #SUB 350 350 LEU A 350 350 LEU L Protein S 1 FT #SUB 351 351 MET A 354 354 LEU L Protein S 1 FT #SUB 354 354 LEU A 123 123 VAL L Protein A 3 FT #SUB 354 354 LEU A 126 126 MET L Protein S 1 FT #SUB 354 354 LEU A 351 351 MET L Protein S 1 FT #SUB 355 355 PRO A 123 123 VAL L Protein B 2 FT #SUB 366 366 ALA A 5 5 ARG L Protein B 3 FT #SUB 368 368 PRO A 5 5 ARG L Protein S 1 FT #SUB 381 381 ALA A 5 5 ARG L Protein S 3 FT #SUB 381 381 ALA A 9 9 LEU L Protein B 1 FT #SUB 382 382 GLU A 9 9 LEU L Protein B 3 FT #SUB 382 382 GLU A 12 12 ARG L Protein A 9 FT #SUB 383 383 ASP A 12 12 ARG L Protein A 6 FT #SUB 383 383 ASP A 343 343 MET L Protein S 2 FT #SUB 384 384 PHE A 9 9 LEU L Protein B 1 FT #SUB 385 385 ASP A 9 9 LEU L Protein A 3 FT #SUB 385 385 ASP A 15 15 ASN L Protein S 5 FT #SUB 386 386 ASP A 12 12 ARG L Protein S 4 FT #SUB 386 386 ASP A 14 14 VAL L Protein S 7 FT #SUB 386 386 ASP A 341 341 SER L Protein S 3 FT #SUB 386 386 ASP A 343 343 MET L Protein S 1 FT #SUB 389 389 VAL A 14 14 VAL L Protein S 1 FT #SUB 389 389 VAL A 19 19 PHE L Protein S 1 FT #SUB 389 389 VAL A 344 344 ARG L Protein S 3 FT #SUB 392 392 ARG A 20 20 VAL L Protein S 2 FT #SUB 392 392 ARG A 308 308 ALA L Protein S 4 FT #SUB 392 392 ARG A 309 309 VAL L Protein S 3 FT #SUB 392 392 ARG A 310 310 PRO L Protein A 11 FT #SUB 392 392 ARG A 311 311 SER L Protein B 3 FT #SUB 393 393 ASP A 307 307 SER L Protein S 1 FT #SUB 393 393 ASP A 311 311 SER L Protein B 3 FT #SUB 393 393 ASP A 312 312 GLY L Protein B 1 FT #SUB 393 393 ASP A 313 313 ILE L Protein A 8 FT #SUB 393 393 ASP A 314 314 ARG L Protein B 2 FT #SUB 393 393 ASP A 344 344 ARG L Protein S 10 FT #SUB 394 394 LEU A 122 122 VAL L Protein B 1 FT #SUB 394 394 LEU A 313 313 ILE L Protein S 2 FT #SUB 394 394 LEU A 314 314 ARG L Protein B 3 FT #SUB 394 394 LEU A 351 351 MET L Protein S 1 FT #SUB 395 395 LYS A 314 314 ARG L Protein S 1 FT #SUB 403 403 VAL A 6 6 PHE L Protein A 2 FT #SUB 405 405 GLU A 2 2 ARG L Protein S 11 FT #SUB 405 405 GLU A 3 3 SER L Protein S 4 FT #SUB 405 405 GLU A 6 6 PHE L Protein A 17 FT #SUB 408 408 VAL A 6 6 PHE L Protein S 4 FT #SUB 409 409 ILE A 1 1 MET L Protein S 1 FT #SUB 409 409 ILE A 3 3 SER L Protein S 1 FT #SUB 412 412 ARG A 5 5 ARG L Protein S 1 FT #SUB 437 437 GLU A 1 1 MET L Protein S 2 FT #SUB 441 441 TYR A 1 1 MET L Protein S 14 FT #SUB 441 441 TYR A 2 2 ARG L Protein S 4 FT #SUB 441 441 TYR A 3 3 SER L Protein A 4 FT #SUB 441 441 TYR A 4 4 LYS L Protein B 6 FT #SUB 442 442 ALA A 5 5 ARG L Protein B 1 FT #SUB 443 443 HIS A 4 4 LYS L Protein A 5 FT #SUB 443 443 HIS A 5 5 ARG L Protein A 11 FT #SUB 443 443 HIS A 8 8 ALA L Protein S 2 FT #SUB 447 447 ASP A 4 4 LYS L Protein S 6 FT #SUB 524 524 TYR A 124 124 GLU L Protein S 5 FT #SUB 525 525 ALA A 89 89 ASN L Protein B 1 FT #SUB 526 526 GLY A 124 124 GLU L Protein B 3 FT #SUB 527 527 PRO A 85 85 VAL L Protein B 1 FT #SUB 527 527 PRO A 88 88 ALA L Protein S 4 FT #SUB 527 527 PRO A 89 89 ASN L Protein S 3 FT #SUB 527 527 PRO A 92 92 CYS L Protein S 2 FT #SUB 527 527 PRO A 119 119 HIS L Protein A 3 FT #SUB 527 527 PRO A 124 124 GLU L Protein A 9 FT #SUB 528 528 ALA A 85 85 VAL L Protein S 1 FT #SUB 528 528 ALA A 119 119 HIS L Protein A 2 FT #SUB 532 532 ARG A 119 119 HIS L Protein S 1 FT #SUB 532 532 ARG A 121 121 ASN L Protein S 4 FT #SUB 532 532 ARG A 124 124 GLU L Protein S 8 FT #SUB 538 538 TRP A 310 310 PRO L Protein S 2 FT #SUB 538 538 TRP A 311 311 SER L Protein S 1 FT #SUB 542 542 LYS A 310 310 PRO L Protein S 4 FT #SUB 544 544 ILE A 19 19 PHE L Protein S 4 FT #SUB 546 546 GLY A 19 19 PHE L Protein B 1 FT #SUB 547 547 ALA A 19 19 PHE L Protein A 5 FT #SUB 548 548 LEU A 19 19 PHE L Protein A 5 FT #SUB 548 548 LEU A 20 20 VAL L Protein A 7 FT #SUB 548 548 LEU A 21 21 LYS L Protein B 5 FT #SUB 549 549 ASP A 21 21 LYS L Protein S 4 FT #SUB 550 550 PRO A 21 21 LYS L Protein S 1 FT #SUB 550 550 PRO A 23 23 TRP L Protein A 5 FT #HET 141 141 GLN A 1 2602 K A S 2 FT #HET 170 170 GLU A 1 2602 K A S 3 FT #HET 172 172 THR A 4 1601 B12 B S 8 FT #HET 173 173 VAL A 4 1601 B12 B B 1 FT #HET 174 174 ALA A 4 1601 B12 B B 1 FT #HET 202 202 SER A 4 1601 B12 B B 1 FT #HET 203 203 LEU A 3 2604 K A B 3 FT #HET 205 205 GLU A 3 2604 K A S 3 FT #HET 205 205 GLU A 4 1601 B12 B S 4 FT #HET 208 208 GLU A 3 2604 K A S 2 FT #HET 221 221 GLU A 1 2602 K A S 3 FT #HET 222 222 THR A 3 2604 K A A 4 FT #HET 222 222 THR A 4 1601 B12 B B 2 FT #HET 223 223 ILE A 3 2604 K A S 1 FT #HET 224 224 SER A 4 1601 B12 B S 4 FT #HET 226 226 TYR A 4 1601 B12 B S 3 FT #HET 234 234 ASP A 4 1601 B12 B B 2 FT #HET 261 261 GLY A 2 2603 K A B 3 FT #HET 264 264 SER A 2 2603 K A S 1 FT #HET 265 265 GLU A 2 2603 K A S 3 FT #HET 267 267 GLN A 4 1601 B12 B A 9 FT #HET 268 268 MET A 4 1601 B12 B S 6 FT #HET 280 280 GLU A 2 2603 K A S 1 FT #HET 283 283 CYS A 2 2603 K A S 1 FT #HET 296 296 GLN A 1 2602 K A S 3 FT #HET 301 301 SER A 4 1601 B12 B A 6 FT #HET 302 302 CYS A 4 1601 B12 B S 1 FT #HET 336 336 GLN A 4 1601 B12 B S 1 FT #HET 362 362 SER A 1 2602 K A A 3 FT #HET 373 373 MET A 4 1601 B12 B B 5 FT #HET 374 374 PHE A 4 1601 B12 B A 6 FT #HET 375 375 ALA A 4 1601 B12 B A 4 FT DISORDER 552 554 CC SEQUENCE 551 AA (ATOM); CC MRSKRFEALA KRPVNQDGFV KEWIEEGFIA MESPNDPKPS IKIVNGAVTE LDGKPVSDFD CC LIDHFIARYG INLNRAEEVM AMDSVKLANM LCDPNVKRSE IVPLTTAMTP AKIVEVVSHM CC NVVEMMMAMQ KMRARRTPSQ QAHVTNVKDN PVQIAADAAE GAWRGFDEQE TTVAVARYAP CC FNAIALLVGS QVGRPGVLTQ CSLEEATELK LGMLGHTCYA ETISVYGTEP VFTDGDDTPW CC SKGFLASSYA SRGLKMRFTS GSGSEVQMGY AEGKSMLYLE ARCIYITKAA GVQGLQNGSV CC SCIGVPSAVP SGIRAVLAEN LICSSLDLEC ASSNDQTFTH SDMRRTARLL MQFLPGTDFI CC SSGYSAVPNY DNMFAGSNED AEDFDDYNVI QRDLKVDGGL RPVREEDVIA IRNKAARALQ CC AVFAGMGLPP ITDEEVEAAT YAHGSKDMPE RNIVEDIKFA QEIINKNRNG LEVVKALAQG CC GFTDVAQDML NIQKAKLTGD YLHTSAIIVG DGQVLSAVND VNDYAGPATG YRLQGERWEE CC IKNIPGALDP N CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MRSKRFEALAKRPVNQDGFVKEWIEEGFIAMESPNDPKPSIKIVNGAVTE CC ATOM MRSKRFEALAKRPVNQDGFVKEWIEEGFIAMESPNDPKPSIKIVNGAVTE CC ************************************************** CC SEQRES LDGKPVSDFDLIDHFIARYGINLNRAEEVMAMDSVKLANMLCDPNVKRSE CC ATOM LDGKPVSDFDLIDHFIARYGINLNRAEEVMAMDSVKLANMLCDPNVKRSE CC ************************************************** CC SEQRES IVPLTTAMTPAKIVEVVSHMNVVEMMMAMQKMRARRTPSQQAHVTNVKDN CC ATOM IVPLTTAMTPAKIVEVVSHMNVVEMMMAMQKMRARRTPSQQAHVTNVKDN CC ************************************************** CC SEQRES PVQIAADAAEGAWRGFDEQETTVAVARYAPFNAIALLVGSQVGRPGVLTQ CC ATOM PVQIAADAAEGAWRGFDEQETTVAVARYAPFNAIALLVGSQVGRPGVLTQ CC ************************************************** CC SEQRES CSLEEATELKLGMLGHTCYAETISVYGTEPVFTDGDDTPWSKGFLASSYA CC ATOM CSLEEATELKLGMLGHTCYAETISVYGTEPVFTDGDDTPWSKGFLASSYA CC ************************************************** CC SEQRES SRGLKMRFTSGSGSEVQMGYAEGKSMLYLEARCIYITKAAGVQGLQNGSV CC ATOM SRGLKMRFTSGSGSEVQMGYAEGKSMLYLEARCIYITKAAGVQGLQNGSV CC ************************************************** CC SEQRES SCIGVPSAVPSGIRAVLAENLICSSLDLECASSNDQTFTHSDMRRTARLL CC ATOM SCIGVPSAVPSGIRAVLAENLICSSLDLECASSNDQTFTHSDMRRTARLL CC ************************************************** CC SEQRES MQFLPGTDFISSGYSAVPNYDNMFAGSNEDAEDFDDYNVIQRDLKVDGGL CC ATOM MQFLPGTDFISSGYSAVPNYDNMFAGSNEDAEDFDDYNVIQRDLKVDGGL CC ************************************************** CC SEQRES RPVREEDVIAIRNKAARALQAVFAGMGLPPITDEEVEAATYAHGSKDMPE CC ATOM RPVREEDVIAIRNKAARALQAVFAGMGLPPITDEEVEAATYAHGSKDMPE CC ************************************************** CC SEQRES RNIVEDIKFAQEIINKNRNGLEVVKALAQGGFTDVAQDMLNIQKAKLTGD CC ATOM RNIVEDIKFAQEIINKNRNGLEVVKALAQGGFTDVAQDMLNIQKAKLTGD CC ************************************************** CC SEQRES YLHTSAIIVGDGQVLSAVNDVNDYAGPATGYRLQGERWEEIKNIPGALDP CC ATOM YLHTSAIIVGDGQVLSAVNDVNDYAGPATGYRLQGERWEEIKNIPGALDP CC ************************************************** CC SEQRES NEID CC ATOM N--- CC * SQ SEQUENCE 554 AA; MW; CN; MRSKRFEALA KRPVNQDGFV KEWIEEGFIA MESPNDPKPS IKIVNGAVTE LDGKPVSDFD LIDHFIARYG INLNRAEEVM AMDSVKLANM LCDPNVKRSE IVPLTTAMTP AKIVEVVSHM NVVEMMMAMQ KMRARRTPSQ QAHVTNVKDN PVQIAADAAE GAWRGFDEQE TTVAVARYAP FNAIALLVGS QVGRPGVLTQ CSLEEATELK LGMLGHTCYA ETISVYGTEP VFTDGDDTPW SKGFLASSYA SRGLKMRFTS GSGSEVQMGY AEGKSMLYLE ARCIYITKAA GVQGLQNGSV SCIGVPSAVP SGIRAVLAEN LICSSLDLEC ASSNDQTFTH SDMRRTARLL MQFLPGTDFI SSGYSAVPNY DNMFAGSNED AEDFDDYNVI QRDLKVDGGL RPVREEDVIA IRNKAARALQ AVFAGMGLPP ITDEEVEAAT YAHGSKDMPE RNIVEDIKFA QEIINKNRNG LEVVKALAQG GFTDVAQDML NIQKAKLTGD YLHTSAIIVG DGQVLSAVND VNDYAGPATG YRLQGERWEE IKNIPGALDP NEID // ID 1IWBB STANDARD; PRT; 224 AA. DT CONVERTED FROM PDB (SEQRES) 1IWB DE DIOL DEHYDRATASE beta chain OS Klebsiella oxytoca CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.181 FT #SUB 110 110 SER B 234 234 ASP A Protein S 4 FT #SUB 112 112 ASP B 234 234 ASP A Protein S 4 FT #SUB 115 115 PHE B 234 234 ASP A Protein S 1 FT #SUB 115 115 PHE B 236 236 ASP A Protein S 2 FT #SUB 146 146 PRO B 204 204 GLU A Protein S 1 FT #SUB 147 147 PRO B 236 236 ASP A Protein S 2 FT #SUB 148 148 LEU B 204 204 GLU A Protein A 4 FT #SUB 148 148 LEU B 235 235 GLY A Protein S 2 FT #SUB 148 148 LEU B 236 236 ASP A Protein S 1 FT #SUB 151 151 LEU B 177 177 ARG A Protein B 2 FT #SUB 156 156 GLN B 375 375 ALA A Protein S 1 FT #SUB 175 175 TYR B 177 177 ARG A Protein S 1 FT #SUB 186 186 THR B 147 147 VAL A Protein S 2 FT #SUB 186 186 THR B 174 174 ALA A Protein S 1 FT #SUB 188 188 ASN B 369 369 ASN A Protein S 1 FT #SUB 188 188 ASN B 370 370 TYR A Protein S 1 FT #SUB 188 188 ASN B 372 372 ASN A Protein S 3 FT #SUB 188 188 ASN B 375 375 ALA A Protein S 2 FT #SUB 190 190 GLN B 337 337 THR A Protein B 3 FT #SUB 190 190 GLN B 369 369 ASN A Protein S 3 FT #SUB 190 190 GLN B 370 370 TYR A Protein S 1 FT #SUB 190 190 GLN B 375 375 ALA A Protein B 3 FT #SUB 191 191 MET B 339 339 THR A Protein S 2 FT #SUB 191 191 MET B 340 340 HIS A Protein S 8 FT #SUB 193 193 ARG B 301 301 SER A Protein S 5 FT #SUB 193 193 ARG B 336 336 GLN A Protein S 12 FT #SUB 193 193 ARG B 337 337 THR A Protein S 10 FT #SUB 193 193 ARG B 374 374 PHE A Protein S 3 FT #SUB 193 193 ARG B 375 375 ALA A Protein S 3 FT #SUB 193 193 ARG B 376 376 GLY A Protein S 1 FT #SUB 194 194 PRO B 17 17 ASP A Protein B 1 FT #SUB 194 194 PRO B 18 18 GLY A Protein B 2 FT #SUB 194 194 PRO B 337 337 THR A Protein S 5 FT #SUB 194 194 PRO B 338 338 PHE A Protein A 7 FT #SUB 194 194 PRO B 339 339 THR A Protein S 2 FT #SUB 194 194 PRO B 340 340 HIS A Protein S 1 FT #SUB 195 195 LYS B 340 340 HIS A Protein S 5 FT #SUB 197 197 GLN B 267 267 GLN A Protein A 5 FT #SUB 197 197 GLN B 301 301 SER A Protein S 3 FT #SUB 197 197 GLN B 302 302 CYS A Protein S 6 FT #SUB 197 197 GLN B 303 303 ILE A Protein S 2 FT #SUB 197 197 GLN B 304 304 GLY A Protein S 4 FT #SUB 197 197 GLN B 305 305 VAL A Protein S 2 FT #SUB 198 198 ALA B 28 28 PHE A Protein S 1 FT #SUB 200 200 SER B 267 267 GLN A Protein A 2 FT #SUB 201 201 ALA B 266 266 VAL A Protein S 1 FT #SUB 201 201 ALA B 267 267 GLN A Protein A 4 FT #SUB 202 202 ILE B 23 23 TRP A Protein S 1 FT #SUB 202 202 ILE B 28 28 PHE A Protein S 1 FT #SUB 204 204 HIS B 267 267 GLN A Protein S 1 FT #SUB 204 204 HIS B 268 268 MET A Protein S 5 FT #SUB 204 204 HIS B 269 269 GLY A Protein S 2 FT #SUB 205 205 ILE B 26 26 GLU A Protein S 2 FT #SUB 205 205 ILE B 266 266 VAL A Protein S 2 FT #SUB 205 205 ILE B 269 269 GLY A Protein S 1 FT #SUB 208 208 THR B 269 269 GLY A Protein S 1 FT #SUB 208 208 THR B 270 270 TYR A Protein S 4 FT #SUB 209 209 LYS B 26 26 GLU A Protein S 4 FT #SUB 109 109 LYS B 173 173 ASP G Protein S 3 FT #SUB 147 147 PRO B 130 130 ARG G Protein S 2 FT #SUB 213 213 THR B 173 173 ASP G Protein S 1 FT #SUB 214 214 GLY B 173 173 ASP G Protein B 6 FT #SUB 199 199 LYS B 548 548 LEU L Protein S 1 FT #SUB 206 206 LYS B 551 551 ASN L Protein S 2 FT #HET 112 112 ASP B 4 1601 B12 B S 5 FT #HET 113 113 VAL B 4 1601 B12 B S 1 FT #HET 114 114 ALA B 4 1601 B12 B S 1 FT #HET 135 135 LYS B 4 1601 B12 B S 9 FT #HET 137 137 THR B 4 1601 B12 B S 6 FT #HET 148 148 LEU B 4 1601 B12 B A 5 FT #HET 150 150 ASN B 4 1601 B12 B S 5 FT #HET 153 153 LEU B 4 1601 B12 B S 9 FT #HET 155 155 PRO B 4 1601 B12 B A 21 FT #HET 156 156 GLN B 4 1601 B12 B A 9 FT #HET 157 157 ALA B 4 1601 B12 B A 5 FT #HET 158 158 PRO B 4 1601 B12 B S 2 FT #HET 193 193 ARG B 4 1601 B12 B S 2 FT #HET 196 196 TYR B 4 1601 B12 B A 3 FT #HET 197 197 GLN B 4 1601 B12 B S 2 FT #HET 200 200 SER B 4 1601 B12 B S 5 FT DISORDER 1 45 FT DISORDER 224 224 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 178 AA (ATOM); CC GFLTEVGEAR QGTQQDEVII AVGPAFGLAQ TVNIVGIPHK SILREVIAGI EEEGIKARVI CC RCFKSSDVAF VAVEGNRLSG SGISIGIQSK GTTVIHQQGL PPLSNLELFP QAPLLTLETY CC RQIGKNAARY AKRESPQPVP TLNDQMARPK YQAKSAILHI KETKYVVTGK NPQELRVA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MEINEKLLRQIIEDVLSEMKGSDKPVSFNAPAASAAPQATPPAGDGFLTE CC ATOM ---------------------------------------------GFLTE CC ***** CC SEQRES VGEARQGTQQDEVIIAVGPAFGLAQTVNIVGIPHKSILREVIAGIEEEGI CC ATOM VGEARQGTQQDEVIIAVGPAFGLAQTVNIVGIPHKSILREVIAGIEEEGI CC ************************************************** CC SEQRES KARVIRCFKSSDVAFVAVEGNRLSGSGISIGIQSKGTTVIHQQGLPPLSN CC ATOM KARVIRCFKSSDVAFVAVEGNRLSGSGISIGIQSKGTTVIHQQGLPPLSN CC ************************************************** CC SEQRES LELFPQAPLLTLETYRQIGKNAARYAKRESPQPVPTLNDQMARPKYQAKS CC ATOM LELFPQAPLLTLETYRQIGKNAARYAKRESPQPVPTLNDQMARPKYQAKS CC ************************************************** CC SEQRES AILHIKETKYVVTGKNPQELRVAL CC ATOM AILHIKETKYVVTGKNPQELRVA- CC *********************** SQ SEQUENCE 224 AA; MW; CN; MEINEKLLRQ IIEDVLSEMK GSDKPVSFNA PAASAAPQAT PPAGDGFLTE VGEARQGTQQ DEVIIAVGPA FGLAQTVNIV GIPHKSILRE VIAGIEEEGI KARVIRCFKS SDVAFVAVEG NRLSGSGISI GIQSKGTTVI HQQGLPPLSN LELFPQAPLL TLETYRQIGK NAARYAKRES PQPVPTLNDQ MARPKYQAKS AILHIKETKY VVTGKNPQEL RVAL // ID 1IWBG STANDARD; PRT; 173 AA. DT CONVERTED FROM PDB (SEQRES) 1IWB DE DIOL DEHYDRATASE gamma chain OS Klebsiella oxytoca CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.181 FT #SUB 43 43 TYR G 500 500 ASP A Protein S 10 FT #SUB 43 43 TYR G 503 503 HIS A Protein S 4 FT #SUB 43 43 TYR G 514 514 VAL A Protein S 1 FT #SUB 43 43 TYR G 516 516 SER A Protein S 4 FT #SUB 43 43 TYR G 518 518 VAL A Protein S 5 FT #SUB 43 43 TYR G 519 519 ASN A Protein S 1 FT #SUB 44 44 PRO G 500 500 ASP A Protein A 9 FT #SUB 44 44 PRO G 514 514 VAL A Protein S 2 FT #SUB 45 45 LEU G 498 498 THR A Protein S 1 FT #SUB 45 45 LEU G 500 500 ASP A Protein A 8 FT #SUB 46 46 ALA G 500 500 ASP A Protein A 3 FT #SUB 47 47 ASN G 513 513 GLN A Protein S 2 FT #SUB 53 53 VAL G 497 497 LEU A Protein S 1 FT #SUB 53 53 VAL G 498 498 THR A Protein S 1 FT #SUB 61 61 LEU G 494 494 LYS A Protein B 1 FT #SUB 61 61 LEU G 498 498 THR A Protein S 2 FT #SUB 64 64 PHE G 494 494 LYS A Protein A 4 FT #SUB 65 65 THR G 490 490 LEU A Protein B 2 FT #SUB 66 66 LEU G 478 478 ALA A Protein S 1 FT #SUB 66 66 LEU G 483 483 THR A Protein S 2 FT #SUB 66 66 LEU G 486 486 ALA A Protein S 1 FT #SUB 66 66 LEU G 487 487 GLN A Protein S 1 FT #SUB 66 66 LEU G 490 490 LEU A Protein B 2 FT #SUB 69 69 VAL G 490 490 LEU A Protein S 1 FT #SUB 72 72 ASN G 475 475 LYS A Protein S 1 FT #SUB 75 75 THR G 471 471 LEU A Protein B 1 FT #SUB 76 76 ALA G 469 469 ASN A Protein S 1 FT #SUB 76 76 ALA G 471 471 LEU A Protein B 2 FT #SUB 79 79 MET G 471 471 LEU A Protein S 2 FT #SUB 79 79 MET G 493 493 GLN A Protein S 1 FT #SUB 79 79 MET G 497 497 LEU A Protein B 3 FT #SUB 80 80 ARG G 252 252 ARG A Protein S 4 FT #SUB 80 80 ARG G 497 497 LEU A Protein B 1 FT #SUB 81 81 ILE G 251 251 SER A Protein S 1 FT #SUB 81 81 ILE G 252 252 ARG A Protein S 1 FT #SUB 81 81 ILE G 253 253 GLY A Protein S 2 FT #SUB 81 81 ILE G 496 496 LYS A Protein S 2 FT #SUB 81 81 ILE G 497 497 LEU A Protein S 2 FT #SUB 81 81 ILE G 499 499 GLY A Protein S 2 FT #SUB 85 85 THR G 497 497 LEU A Protein S 1 FT #SUB 85 85 THR G 498 498 THR A Protein S 2 FT #SUB 86 86 LEU G 250 250 ALA A Protein S 2 FT #SUB 86 86 LEU G 502 502 LEU A Protein S 1 FT #SUB 89 89 GLN G 498 498 THR A Protein S 3 FT #SUB 89 89 GLN G 499 499 GLY A Protein S 8 FT #SUB 89 89 GLN G 500 500 ASP A Protein S 6 FT #SUB 89 89 GLN G 503 503 HIS A Protein A 8 FT #SUB 92 92 ILE G 503 503 HIS A Protein S 1 FT #SUB 93 93 ALA G 503 503 HIS A Protein B 2 FT #SUB 98 98 ARG G 327 327 ASP A Protein S 12 FT #SUB 98 98 ARG G 504 504 THR A Protein S 7 FT #SUB 98 98 ARG G 517 517 ALA A Protein S 1 FT #SUB 100 100 ARG G 69 69 TYR A Protein S 7 FT #SUB 100 100 ARG G 70 70 GLY A Protein S 1 FT #SUB 100 100 ARG G 71 71 ILE A Protein S 4 FT #SUB 100 100 ARG G 72 72 ASN A Protein S 2 FT #SUB 100 100 ARG G 288 288 LYS A Protein S 2 FT #SUB 100 100 ARG G 289 289 ALA A Protein S 1 FT #SUB 100 100 ARG G 291 291 GLY A Protein A 3 FT #SUB 101 101 LEU G 291 291 GLY A Protein A 4 FT #SUB 101 101 LEU G 504 504 THR A Protein S 1 FT #SUB 104 104 ASN G 246 246 ALA A Protein S 2 FT #SUB 104 104 ASN G 247 247 SER A Protein A 6 FT #SUB 104 104 ASN G 290 290 ALA A Protein S 1 FT #SUB 104 104 ASN G 291 291 GLY A Protein S 6 FT #SUB 105 105 PHE G 502 502 LEU A Protein S 4 FT #SUB 107 107 ARG G 243 243 GLY A Protein S 2 FT #SUB 107 107 ARG G 247 247 SER A Protein S 7 FT #SUB 107 107 ARG G 290 290 ALA A Protein S 3 FT #SUB 108 108 ALA G 247 247 SER A Protein A 3 FT #SUB 108 108 ALA G 250 250 ALA A Protein S 2 FT #SUB 108 108 ALA G 251 251 SER A Protein A 6 FT #SUB 111 111 LEU G 244 244 PHE A Protein S 2 FT #SUB 111 111 LEU G 247 247 SER A Protein S 1 FT #SUB 111 111 LEU G 248 248 SER A Protein S 2 FT #SUB 111 111 LEU G 251 251 SER A Protein S 2 FT #SUB 111 111 LEU G 252 252 ARG A Protein B 2 FT #SUB 112 112 THR G 251 251 SER A Protein A 2 FT #SUB 112 112 THR G 252 252 ARG A Protein B 1 FT #SUB 114 114 VAL G 252 252 ARG A Protein B 4 FT #SUB 115 115 PRO G 252 252 ARG A Protein B 1 FT #SUB 116 116 ASP G 213 213 MET A Protein A 12 FT #SUB 116 116 ASP G 252 252 ARG A Protein A 6 FT #SUB 117 117 ASP G 210 210 LYS A Protein S 1 FT #SUB 119 119 ILE G 213 213 MET A Protein S 1 FT #SUB 119 119 ILE G 244 244 PHE A Protein B 1 FT #SUB 119 119 ILE G 248 248 SER A Protein S 2 FT #SUB 119 119 ILE G 252 252 ARG A Protein S 1 FT #SUB 120 120 LEU G 206 206 ALA A Protein S 1 FT #SUB 120 120 LEU G 210 210 LYS A Protein S 2 FT #SUB 122 122 ILE G 244 244 PHE A Protein S 4 FT #SUB 123 123 TYR G 205 205 GLU A Protein S 4 FT #SUB 123 123 TYR G 237 237 ASP A Protein S 5 FT #SUB 123 123 TYR G 241 241 SER A Protein S 4 FT #SUB 123 123 TYR G 244 244 PHE A Protein A 6 FT #SUB 123 123 TYR G 245 245 LEU A Protein S 5 FT #SUB 126 126 LEU G 238 238 THR A Protein B 2 FT #SUB 126 126 LEU G 241 241 SER A Protein A 5 FT #SUB 126 126 LEU G 244 244 PHE A Protein S 2 FT #SUB 127 127 ARG G 204 204 GLU A Protein S 4 FT #SUB 127 127 ARG G 205 205 GLU A Protein S 1 FT #SUB 127 127 ARG G 206 206 ALA A Protein S 1 FT #SUB 127 127 ARG G 236 236 ASP A Protein S 10 FT #SUB 127 127 ARG G 237 237 ASP A Protein S 1 FT #SUB 128 128 PRO G 236 236 ASP A Protein S 4 FT #SUB 128 128 PRO G 237 237 ASP A Protein S 7 FT #SUB 129 129 TYR G 233 233 THR A Protein S 3 FT #SUB 130 130 ARG G 236 236 ASP A Protein S 8 FT #SUB 155 155 PHE G 240 240 TRP A Protein A 13 FT #SUB 155 155 PHE G 244 244 PHE A Protein S 1 FT #SUB 158 158 GLU G 68 68 ARG A Protein S 6 FT #SUB 158 158 GLU G 69 69 TYR A Protein S 6 FT #SUB 158 158 GLU G 240 240 TRP A Protein S 10 FT #SUB 159 159 ALA G 240 240 TRP A Protein S 3 FT #SUB 162 162 LEU G 61 61 LEU A Protein S 1 FT #SUB 162 162 LEU G 64 64 HIS A Protein S 5 FT #SUB 162 162 LEU G 68 68 ARG A Protein S 1 FT #SUB 162 162 LEU G 240 240 TRP A Protein S 2 FT #SUB 163 163 TYR G 238 238 THR A Protein S 7 FT #SUB 163 163 TYR G 240 240 TRP A Protein S 1 FT #SUB 163 163 TYR G 241 241 SER A Protein S 1 FT #SUB 165 165 GLU G 59 59 PHE A Protein S 1 FT #SUB 165 165 GLU G 64 64 HIS A Protein S 3 FT #SUB 166 166 ARG G 59 59 PHE A Protein S 2 FT #SUB 166 166 ARG G 60 60 ASP A Protein S 5 FT #SUB 166 166 ARG G 61 61 LEU A Protein S 2 FT #SUB 166 166 ARG G 229 229 GLU A Protein S 12 FT #SUB 168 168 LYS G 229 229 GLU A Protein S 1 FT #SUB 168 168 LYS G 233 233 THR A Protein S 4 FT #SUB 130 130 ARG G 147 147 PRO B Protein S 2 FT #SUB 173 173 ASP G 109 109 LYS B Protein B 3 FT #SUB 173 173 ASP G 213 213 THR B Protein B 1 FT #SUB 173 173 ASP G 214 214 GLY B Protein B 6 FT DISORDER 1 36 CC SEQUENCE 137 AA (ATOM); CC SARVSDYPLA NKHPEWVKTA TNKTLDDFTL ENVLSNKVTA QDMRITPETL RLQASIAKDA CC GRDRLAMNFE RAAELTAVPD DRILEIYNAL RPYRSTKEEL LAIADDLESR YQAKICAAFV CC REAATLYVER KKLKGDD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNTDAIESMVRDVLSRMNSLQGEAPAAAPAAGGASRSARVSDYPLANKHP CC ATOM ------------------------------------SARVSDYPLANKHP CC ************** CC SEQRES EWVKTATNKTLDDFTLENVLSNKVTAQDMRITPETLRLQASIAKDAGRDR CC ATOM EWVKTATNKTLDDFTLENVLSNKVTAQDMRITPETLRLQASIAKDAGRDR CC ************************************************** CC SEQRES LAMNFERAAELTAVPDDRILEIYNALRPYRSTKEELLAIADDLESRYQAK CC ATOM LAMNFERAAELTAVPDDRILEIYNALRPYRSTKEELLAIADDLESRYQAK CC ************************************************** CC SEQRES ICAAFVREAATLYVERKKLKGDD CC ATOM ICAAFVREAATLYVERKKLKGDD CC *********************** SQ SEQUENCE 173 AA; MW; CN; MNTDAIESMV RDVLSRMNSL QGEAPAAAPA AGGASRSARV SDYPLANKHP EWVKTATNKT LDDFTLENVL SNKVTAQDMR ITPETLRLQA SIAKDAGRDR LAMNFERAAE LTAVPDDRIL EIYNALRPYR STKEELLAIA DDLESRYQAK ICAAFVREAA TLYVERKKLK GDD // ID 1IWBL STANDARD; PRT; 554 AA. DT CONVERTED FROM PDB (SEQRES) 1IWB DE DIOL DEHYDRATASE alpha chain OS Klebsiella oxytoca CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.181 FT #SUB 1 1 MET L 409 409 ILE A Protein B 1 FT #SUB 1 1 MET L 437 437 GLU A Protein S 2 FT #SUB 1 1 MET L 441 441 TYR A Protein A 14 FT #SUB 2 2 ARG L 405 405 GLU A Protein A 11 FT #SUB 2 2 ARG L 441 441 TYR A Protein B 4 FT #SUB 3 3 SER L 405 405 GLU A Protein A 4 FT #SUB 3 3 SER L 409 409 ILE A Protein B 1 FT #SUB 3 3 SER L 441 441 TYR A Protein B 4 FT #SUB 4 4 LYS L 441 441 TYR A Protein A 6 FT #SUB 4 4 LYS L 443 443 HIS A Protein A 5 FT #SUB 4 4 LYS L 447 447 ASP A Protein S 6 FT #SUB 5 5 ARG L 157 157 ASP A Protein S 4 FT #SUB 5 5 ARG L 160 160 GLU A Protein S 8 FT #SUB 5 5 ARG L 366 366 ALA A Protein S 3 FT #SUB 5 5 ARG L 368 368 PRO A Protein S 1 FT #SUB 5 5 ARG L 381 381 ALA A Protein S 3 FT #SUB 5 5 ARG L 412 412 ARG A Protein S 1 FT #SUB 5 5 ARG L 442 442 ALA A Protein B 1 FT #SUB 5 5 ARG L 443 443 HIS A Protein A 11 FT #SUB 6 6 PHE L 164 164 ARG A Protein S 2 FT #SUB 6 6 PHE L 403 403 VAL A Protein S 2 FT #SUB 6 6 PHE L 405 405 GLU A Protein S 17 FT #SUB 6 6 PHE L 408 408 VAL A Protein S 4 FT #SUB 8 8 ALA L 443 443 HIS A Protein S 2 FT #SUB 9 9 LEU L 164 164 ARG A Protein S 1 FT #SUB 9 9 LEU L 381 381 ALA A Protein S 1 FT #SUB 9 9 LEU L 382 382 GLU A Protein S 3 FT #SUB 9 9 LEU L 384 384 PHE A Protein S 1 FT #SUB 9 9 LEU L 385 385 ASP A Protein A 3 FT #SUB 12 12 ARG L 382 382 GLU A Protein S 9 FT #SUB 12 12 ARG L 383 383 ASP A Protein S 6 FT #SUB 12 12 ARG L 386 386 ASP A Protein S 4 FT #SUB 14 14 VAL L 386 386 ASP A Protein S 7 FT #SUB 14 14 VAL L 389 389 VAL A Protein S 1 FT #SUB 15 15 ASN L 385 385 ASP A Protein S 5 FT #SUB 19 19 PHE L 389 389 VAL A Protein S 1 FT #SUB 19 19 PHE L 544 544 ILE A Protein S 4 FT #SUB 19 19 PHE L 546 546 GLY A Protein B 1 FT #SUB 19 19 PHE L 547 547 ALA A Protein A 5 FT #SUB 19 19 PHE L 548 548 LEU A Protein B 5 FT #SUB 20 20 VAL L 392 392 ARG A Protein B 2 FT #SUB 20 20 VAL L 548 548 LEU A Protein A 7 FT #SUB 21 21 LYS L 548 548 LEU A Protein A 5 FT #SUB 21 21 LYS L 549 549 ASP A Protein S 4 FT #SUB 21 21 LYS L 550 550 PRO A Protein B 1 FT #SUB 23 23 TRP L 550 550 PRO A Protein S 5 FT #SUB 85 85 VAL L 527 527 PRO A Protein S 1 FT #SUB 85 85 VAL L 528 528 ALA A Protein S 1 FT #SUB 88 88 ALA L 527 527 PRO A Protein A 4 FT #SUB 89 89 ASN L 95 95 ASN A Protein S 8 FT #SUB 89 89 ASN L 525 525 ALA A Protein S 1 FT #SUB 89 89 ASN L 527 527 PRO A Protein B 3 FT #SUB 92 92 CYS L 127 127 MET A Protein S 1 FT #SUB 92 92 CYS L 527 527 PRO A Protein S 2 FT #SUB 93 93 ASP L 93 93 ASP A Protein S 1 FT #SUB 93 93 ASP L 95 95 ASN A Protein S 1 FT #SUB 94 94 PRO L 94 94 PRO A Protein S 1 FT #SUB 95 95 ASN L 89 89 ASN A Protein S 7 FT #SUB 95 95 ASN L 93 93 ASP A Protein S 2 FT #SUB 119 119 HIS L 527 527 PRO A Protein B 3 FT #SUB 119 119 HIS L 528 528 ALA A Protein A 2 FT #SUB 119 119 HIS L 532 532 ARG A Protein B 1 FT #SUB 121 121 ASN L 130 130 GLN A Protein S 3 FT #SUB 121 121 ASN L 532 532 ARG A Protein A 4 FT #SUB 122 122 VAL L 394 394 LEU A Protein S 1 FT #SUB 123 123 VAL L 126 126 MET A Protein S 2 FT #SUB 123 123 VAL L 127 127 MET A Protein S 2 FT #SUB 123 123 VAL L 130 130 GLN A Protein S 1 FT #SUB 123 123 VAL L 354 354 LEU A Protein S 3 FT #SUB 123 123 VAL L 355 355 PRO A Protein S 2 FT #SUB 124 124 GLU L 524 524 TYR A Protein S 5 FT #SUB 124 124 GLU L 526 526 GLY A Protein S 3 FT #SUB 124 124 GLU L 527 527 PRO A Protein S 9 FT #SUB 124 124 GLU L 532 532 ARG A Protein S 8 FT #SUB 126 126 MET L 123 123 VAL A Protein B 2 FT #SUB 126 126 MET L 126 126 MET A Protein S 1 FT #SUB 126 126 MET L 354 354 LEU A Protein S 1 FT #SUB 127 127 MET L 92 92 CYS A Protein S 1 FT #SUB 127 127 MET L 123 123 VAL A Protein B 2 FT #SUB 127 127 MET L 127 127 MET A Protein S 5 FT #SUB 130 130 GLN L 121 121 ASN A Protein S 3 FT #SUB 130 130 GLN L 123 123 VAL A Protein S 1 FT #SUB 130 130 GLN L 124 124 GLU A Protein S 1 FT #SUB 157 157 ASP L 5 5 ARG A Protein S 2 FT #SUB 160 160 GLU L 5 5 ARG A Protein S 8 FT #SUB 164 164 ARG L 6 6 PHE A Protein S 2 FT #SUB 164 164 ARG L 9 9 LEU A Protein S 1 FT #SUB 307 307 SER L 393 393 ASP A Protein B 1 FT #SUB 308 308 ALA L 392 392 ARG A Protein B 4 FT #SUB 309 309 VAL L 392 392 ARG A Protein B 3 FT #SUB 310 310 PRO L 392 392 ARG A Protein A 11 FT #SUB 310 310 PRO L 538 538 TRP A Protein S 2 FT #SUB 310 310 PRO L 542 542 LYS A Protein S 4 FT #SUB 311 311 SER L 392 392 ARG A Protein B 3 FT #SUB 311 311 SER L 393 393 ASP A Protein B 3 FT #SUB 311 311 SER L 538 538 TRP A Protein B 1 FT #SUB 312 312 GLY L 393 393 ASP A Protein B 1 FT #SUB 313 313 ILE L 393 393 ASP A Protein A 8 FT #SUB 313 313 ILE L 394 394 LEU A Protein S 2 FT #SUB 314 314 ARG L 393 393 ASP A Protein A 2 FT #SUB 314 314 ARG L 394 394 LEU A Protein S 3 FT #SUB 314 314 ARG L 395 395 LYS A Protein S 1 FT #SUB 341 341 SER L 386 386 ASP A Protein S 3 FT #SUB 342 342 ASP L 342 342 ASP A Protein S 1 FT #SUB 343 343 MET L 345 345 ARG A Protein S 1 FT #SUB 343 343 MET L 346 346 THR A Protein A 6 FT #SUB 343 343 MET L 383 383 ASP A Protein S 2 FT #SUB 343 343 MET L 386 386 ASP A Protein S 1 FT #SUB 344 344 ARG L 389 389 VAL A Protein S 3 FT #SUB 344 344 ARG L 393 393 ASP A Protein S 10 FT #SUB 345 345 ARG L 343 343 MET A Protein S 1 FT #SUB 346 346 THR L 343 343 MET A Protein S 6 FT #SUB 346 346 THR L 346 346 THR A Protein S 2 FT #SUB 347 347 ALA L 350 350 LEU A Protein A 2 FT #SUB 350 350 LEU L 347 347 ALA A Protein S 2 FT #SUB 350 350 LEU L 350 350 LEU A Protein S 1 FT #SUB 351 351 MET L 354 354 LEU A Protein S 1 FT #SUB 351 351 MET L 394 394 LEU A Protein S 1 FT #SUB 354 354 LEU L 123 123 VAL A Protein A 3 FT #SUB 354 354 LEU L 126 126 MET A Protein S 1 FT #SUB 354 354 LEU L 351 351 MET A Protein S 1 FT #SUB 355 355 PRO L 123 123 VAL A Protein B 2 FT #SUB 366 366 ALA L 5 5 ARG A Protein B 3 FT #SUB 367 367 VAL L 5 5 ARG A Protein B 1 FT #SUB 368 368 PRO L 5 5 ARG A Protein S 1 FT #SUB 381 381 ALA L 5 5 ARG A Protein S 2 FT #SUB 381 381 ALA L 9 9 LEU A Protein B 1 FT #SUB 382 382 GLU L 9 9 LEU A Protein B 1 FT #SUB 382 382 GLU L 12 12 ARG A Protein A 10 FT #SUB 383 383 ASP L 12 12 ARG A Protein A 8 FT #SUB 383 383 ASP L 343 343 MET A Protein S 2 FT #SUB 385 385 ASP L 9 9 LEU A Protein A 6 FT #SUB 385 385 ASP L 15 15 ASN A Protein S 5 FT #SUB 386 386 ASP L 12 12 ARG A Protein S 4 FT #SUB 386 386 ASP L 14 14 VAL A Protein S 5 FT #SUB 386 386 ASP L 341 341 SER A Protein S 3 FT #SUB 386 386 ASP L 343 343 MET A Protein S 1 FT #SUB 389 389 VAL L 14 14 VAL A Protein S 1 FT #SUB 389 389 VAL L 19 19 PHE A Protein S 3 FT #SUB 389 389 VAL L 344 344 ARG A Protein S 3 FT #SUB 392 392 ARG L 19 19 PHE A Protein S 1 FT #SUB 392 392 ARG L 20 20 VAL A Protein S 2 FT #SUB 392 392 ARG L 308 308 ALA A Protein S 4 FT #SUB 392 392 ARG L 309 309 VAL A Protein S 3 FT #SUB 392 392 ARG L 310 310 PRO A Protein A 11 FT #SUB 392 392 ARG L 311 311 SER A Protein B 3 FT #SUB 393 393 ASP L 307 307 SER A Protein S 1 FT #SUB 393 393 ASP L 311 311 SER A Protein B 5 FT #SUB 393 393 ASP L 312 312 GLY A Protein B 1 FT #SUB 393 393 ASP L 313 313 ILE A Protein A 8 FT #SUB 393 393 ASP L 314 314 ARG A Protein B 1 FT #SUB 393 393 ASP L 344 344 ARG A Protein S 10 FT #SUB 394 394 LEU L 313 313 ILE A Protein S 2 FT #SUB 394 394 LEU L 314 314 ARG A Protein B 2 FT #SUB 395 395 LYS L 311 311 SER A Protein S 1 FT #SUB 395 395 LYS L 314 314 ARG A Protein S 1 FT #SUB 403 403 VAL L 6 6 PHE A Protein A 3 FT #SUB 404 404 ARG L 6 6 PHE A Protein B 1 FT #SUB 405 405 GLU L 2 2 ARG A Protein S 10 FT #SUB 405 405 GLU L 3 3 SER A Protein S 2 FT #SUB 405 405 GLU L 6 6 PHE A Protein A 15 FT #SUB 408 408 VAL L 6 6 PHE A Protein S 3 FT #SUB 409 409 ILE L 3 3 SER A Protein S 1 FT #SUB 412 412 ARG L 5 5 ARG A Protein S 1 FT #SUB 441 441 TYR L 1 1 MET A Protein S 12 FT #SUB 441 441 TYR L 2 2 ARG A Protein S 4 FT #SUB 441 441 TYR L 3 3 SER A Protein B 1 FT #SUB 441 441 TYR L 4 4 LYS A Protein B 8 FT #SUB 442 442 ALA L 4 4 LYS A Protein B 1 FT #SUB 442 442 ALA L 5 5 ARG A Protein B 1 FT #SUB 443 443 HIS L 4 4 LYS A Protein A 4 FT #SUB 443 443 HIS L 5 5 ARG A Protein A 11 FT #SUB 443 443 HIS L 8 8 ALA A Protein S 3 FT #SUB 447 447 ASP L 4 4 LYS A Protein S 7 FT #SUB 524 524 TYR L 124 124 GLU A Protein S 5 FT #SUB 525 525 ALA L 89 89 ASN A Protein B 1 FT #SUB 526 526 GLY L 124 124 GLU A Protein B 3 FT #SUB 527 527 PRO L 85 85 VAL A Protein B 1 FT #SUB 527 527 PRO L 88 88 ALA A Protein S 4 FT #SUB 527 527 PRO L 89 89 ASN A Protein S 3 FT #SUB 527 527 PRO L 92 92 CYS A Protein S 2 FT #SUB 527 527 PRO L 119 119 HIS A Protein A 3 FT #SUB 527 527 PRO L 124 124 GLU A Protein A 9 FT #SUB 528 528 ALA L 119 119 HIS A Protein B 1 FT #SUB 532 532 ARG L 119 119 HIS A Protein S 1 FT #SUB 532 532 ARG L 121 121 ASN A Protein S 5 FT #SUB 532 532 ARG L 124 124 GLU A Protein S 8 FT #SUB 538 538 TRP L 310 310 PRO A Protein S 2 FT #SUB 542 542 LYS L 310 310 PRO A Protein S 4 FT #SUB 544 544 ILE L 19 19 PHE A Protein S 3 FT #SUB 546 546 GLY L 19 19 PHE A Protein B 2 FT #SUB 547 547 ALA L 19 19 PHE A Protein B 4 FT #SUB 547 547 ALA L 21 21 LYS A Protein B 1 FT #SUB 548 548 LEU L 19 19 PHE A Protein A 6 FT #SUB 548 548 LEU L 20 20 VAL A Protein B 4 FT #SUB 548 548 LEU L 21 21 LYS A Protein B 2 FT #SUB 549 549 ASP L 21 21 LYS A Protein S 4 FT #SUB 550 550 PRO L 21 21 LYS A Protein S 8 FT #SUB 550 550 PRO L 23 23 TRP A Protein S 6 FT #SUB 548 548 LEU L 199 199 LYS B Protein S 1 FT #SUB 551 551 ASN L 206 206 LYS B Protein S 2 FT #SUB 18 18 GLY L 194 194 PRO E Protein B 1 FT #SUB 23 23 TRP L 202 202 ILE E Protein S 1 FT #SUB 23 23 TRP L 205 205 ILE E Protein S 1 FT #SUB 26 26 GLU L 205 205 ILE E Protein S 2 FT #SUB 26 26 GLU L 209 209 LYS E Protein S 4 FT #SUB 28 28 PHE L 202 202 ILE E Protein S 2 FT #SUB 147 147 VAL L 186 186 THR E Protein A 4 FT #SUB 174 174 ALA L 186 186 THR E Protein S 2 FT #SUB 175 175 VAL L 183 183 PRO E Protein S 1 FT #SUB 177 177 ARG L 151 151 LEU E Protein S 5 FT #SUB 177 177 ARG L 152 152 GLU E Protein S 1 FT #SUB 177 177 ARG L 175 175 TYR E Protein S 5 FT #SUB 204 204 GLU L 146 146 PRO E Protein S 4 FT #SUB 204 204 GLU L 148 148 LEU E Protein S 4 FT #SUB 234 234 ASP L 110 110 SER E Protein S 4 FT #SUB 234 234 ASP L 112 112 ASP E Protein A 5 FT #SUB 234 234 ASP L 115 115 PHE E Protein A 7 FT #SUB 235 235 GLY L 148 148 LEU E Protein B 2 FT #SUB 236 236 ASP L 115 115 PHE E Protein S 3 FT #SUB 236 236 ASP L 147 147 PRO E Protein S 3 FT #SUB 236 236 ASP L 148 148 LEU E Protein S 1 FT #SUB 266 266 VAL L 205 205 ILE E Protein B 2 FT #SUB 267 267 GLN L 197 197 GLN E Protein S 3 FT #SUB 267 267 GLN L 200 200 SER E Protein S 1 FT #SUB 267 267 GLN L 201 201 ALA E Protein A 4 FT #SUB 267 267 GLN L 204 204 HIS E Protein B 2 FT #SUB 268 268 MET L 204 204 HIS E Protein B 5 FT #SUB 269 269 GLY L 205 205 ILE E Protein B 1 FT #SUB 270 270 TYR L 208 208 THR E Protein S 4 FT #SUB 270 270 TYR L 211 211 VAL E Protein S 1 FT #SUB 301 301 SER L 193 193 ARG E Protein B 3 FT #SUB 301 301 SER L 197 197 GLN E Protein B 3 FT #SUB 302 302 CYS L 197 197 GLN E Protein B 6 FT #SUB 303 303 ILE L 193 193 ARG E Protein S 1 FT #SUB 303 303 ILE L 197 197 GLN E Protein B 2 FT #SUB 304 304 GLY L 197 197 GLN E Protein B 4 FT #SUB 304 304 GLY L 198 198 ALA E Protein B 1 FT #SUB 305 305 VAL L 197 197 GLN E Protein A 2 FT #SUB 336 336 GLN L 193 193 ARG E Protein S 9 FT #SUB 337 337 THR L 190 190 GLN E Protein S 3 FT #SUB 337 337 THR L 191 191 MET E Protein S 2 FT #SUB 337 337 THR L 193 193 ARG E Protein A 11 FT #SUB 337 337 THR L 194 194 PRO E Protein A 6 FT #SUB 338 338 PHE L 194 194 PRO E Protein B 6 FT #SUB 339 339 THR L 191 191 MET E Protein B 2 FT #SUB 339 339 THR L 194 194 PRO E Protein B 2 FT #SUB 340 340 HIS L 191 191 MET E Protein A 8 FT #SUB 340 340 HIS L 194 194 PRO E Protein S 1 FT #SUB 340 340 HIS L 195 195 LYS E Protein S 5 FT #SUB 369 369 ASN L 190 190 GLN E Protein A 6 FT #SUB 370 370 TYR L 188 188 ASN E Protein B 1 FT #SUB 370 370 TYR L 190 190 GLN E Protein B 2 FT #SUB 372 372 ASN L 188 188 ASN E Protein B 4 FT #SUB 374 374 PHE L 193 193 ARG E Protein B 3 FT #SUB 375 375 ALA L 156 156 GLN E Protein A 2 FT #SUB 375 375 ALA L 188 188 ASN E Protein B 1 FT #SUB 375 375 ALA L 190 190 GLN E Protein B 4 FT #SUB 375 375 ALA L 193 193 ARG E Protein A 3 FT #SUB 376 376 GLY L 190 190 GLN E Protein B 1 FT #SUB 376 376 GLY L 193 193 ARG E Protein B 1 FT #SUB 453 453 ILE L 182 182 GLN E Protein S 3 FT #SUB 453 453 ILE L 183 183 PRO E Protein S 2 FT #SUB 454 454 VAL L 180 180 SER E Protein S 2 FT #SUB 454 454 VAL L 182 182 GLN E Protein S 1 FT #SUB 59 59 PHE L 165 165 GLU M Protein B 1 FT #SUB 59 59 PHE L 166 166 ARG M Protein B 2 FT #SUB 60 60 ASP L 166 166 ARG M Protein A 3 FT #SUB 61 61 LEU L 162 162 LEU M Protein S 1 FT #SUB 61 61 LEU L 166 166 ARG M Protein S 4 FT #SUB 61 61 LEU L 168 168 LYS M Protein S 1 FT #SUB 64 64 HIS L 162 162 LEU M Protein S 3 FT #SUB 64 64 HIS L 165 165 GLU M Protein S 4 FT #SUB 65 65 PHE L 155 155 PHE M Protein S 1 FT #SUB 68 68 ARG L 158 158 GLU M Protein S 6 FT #SUB 68 68 ARG L 162 162 LEU M Protein S 2 FT #SUB 69 69 TYR L 100 100 ARG M Protein A 13 FT #SUB 69 69 TYR L 103 103 MET M Protein S 1 FT #SUB 69 69 TYR L 155 155 PHE M Protein S 1 FT #SUB 69 69 TYR L 158 158 GLU M Protein S 7 FT #SUB 204 204 GLU L 127 127 ARG M Protein S 5 FT #SUB 205 205 GLU L 123 123 TYR M Protein S 4 FT #SUB 205 205 GLU L 127 127 ARG M Protein S 1 FT #SUB 206 206 ALA L 120 120 LEU M Protein B 1 FT #SUB 206 206 ALA L 124 124 ASN M Protein S 1 FT #SUB 206 206 ALA L 127 127 ARG M Protein S 1 FT #SUB 209 209 LEU L 120 120 LEU M Protein S 1 FT #SUB 210 210 LYS L 120 120 LEU M Protein S 1 FT #SUB 213 213 MET L 116 116 ASP M Protein S 10 FT #SUB 213 213 MET L 119 119 ILE M Protein S 2 FT #SUB 213 213 MET L 120 120 LEU M Protein S 2 FT #SUB 229 229 GLU L 166 166 ARG M Protein S 10 FT #SUB 233 233 THR L 128 128 PRO M Protein S 1 FT #SUB 233 233 THR L 129 129 TYR M Protein S 3 FT #SUB 233 233 THR L 168 168 LYS M Protein S 4 FT #SUB 236 236 ASP L 127 127 ARG M Protein A 8 FT #SUB 236 236 ASP L 128 128 PRO M Protein A 5 FT #SUB 236 236 ASP L 130 130 ARG M Protein S 8 FT #SUB 237 237 ASP L 123 123 TYR M Protein S 5 FT #SUB 237 237 ASP L 127 127 ARG M Protein S 1 FT #SUB 237 237 ASP L 128 128 PRO M Protein B 7 FT #SUB 238 238 THR L 163 163 TYR M Protein S 7 FT #SUB 240 240 TRP L 155 155 PHE M Protein A 18 FT #SUB 240 240 TRP L 158 158 GLU M Protein S 10 FT #SUB 240 240 TRP L 159 159 ALA M Protein S 3 FT #SUB 240 240 TRP L 162 162 LEU M Protein S 3 FT #SUB 240 240 TRP L 163 163 TYR M Protein S 1 FT #SUB 241 241 SER L 123 123 TYR M Protein A 4 FT #SUB 241 241 SER L 126 126 LEU M Protein A 4 FT #SUB 241 241 SER L 163 163 TYR M Protein B 1 FT #SUB 243 243 GLY L 107 107 ARG M Protein B 2 FT #SUB 244 244 PHE L 111 111 LEU M Protein S 4 FT #SUB 244 244 PHE L 119 119 ILE M Protein S 1 FT #SUB 244 244 PHE L 122 122 ILE M Protein S 5 FT #SUB 244 244 PHE L 123 123 TYR M Protein S 2 FT #SUB 244 244 PHE L 126 126 LEU M Protein S 2 FT #SUB 244 244 PHE L 155 155 PHE M Protein B 1 FT #SUB 245 245 LEU L 123 123 TYR M Protein S 3 FT #SUB 246 246 ALA L 104 104 ASN M Protein B 2 FT #SUB 247 247 SER L 104 104 ASN M Protein A 6 FT #SUB 247 247 SER L 107 107 ARG M Protein S 7 FT #SUB 247 247 SER L 108 108 ALA M Protein B 2 FT #SUB 248 248 SER L 111 111 LEU M Protein S 1 FT #SUB 248 248 SER L 119 119 ILE M Protein S 2 FT #SUB 250 250 ALA L 86 86 LEU M Protein B 2 FT #SUB 250 250 ALA L 108 108 ALA M Protein A 2 FT #SUB 251 251 SER L 81 81 ILE M Protein B 1 FT #SUB 251 251 SER L 86 86 LEU M Protein B 1 FT #SUB 251 251 SER L 108 108 ALA M Protein A 6 FT #SUB 251 251 SER L 111 111 LEU M Protein S 2 FT #SUB 251 251 SER L 112 112 THR M Protein A 2 FT #SUB 252 252 ARG L 80 80 ARG M Protein S 3 FT #SUB 252 252 ARG L 81 81 ILE M Protein B 1 FT #SUB 252 252 ARG L 111 111 LEU M Protein S 2 FT #SUB 252 252 ARG L 112 112 THR M Protein S 1 FT #SUB 252 252 ARG L 114 114 VAL M Protein S 4 FT #SUB 252 252 ARG L 115 115 PRO M Protein S 1 FT #SUB 252 252 ARG L 116 116 ASP M Protein S 7 FT #SUB 252 252 ARG L 119 119 ILE M Protein S 4 FT #SUB 253 253 GLY L 81 81 ILE M Protein B 2 FT #SUB 288 288 LYS L 100 100 ARG M Protein B 3 FT #SUB 289 289 ALA L 100 100 ARG M Protein B 1 FT #SUB 289 289 ALA L 103 103 MET M Protein B 1 FT #SUB 290 290 ALA L 104 104 ASN M Protein B 1 FT #SUB 290 290 ALA L 107 107 ARG M Protein B 3 FT #SUB 291 291 GLY L 100 100 ARG M Protein B 3 FT #SUB 291 291 GLY L 101 101 LEU M Protein B 3 FT #SUB 291 291 GLY L 104 104 ASN M Protein B 6 FT #SUB 327 327 ASP L 98 98 ARG M Protein S 10 FT #SUB 471 471 LEU L 76 76 ALA M Protein S 2 FT #SUB 471 471 LEU L 79 79 MET M Protein S 3 FT #SUB 475 475 LYS L 69 69 VAL M Protein S 1 FT #SUB 475 475 LYS L 70 70 LEU M Protein S 1 FT #SUB 475 475 LYS L 72 72 ASN M Protein S 1 FT #SUB 478 478 ALA L 66 66 LEU M Protein S 1 FT #SUB 483 483 THR L 66 66 LEU M Protein S 2 FT #SUB 487 487 GLN L 64 64 PHE M Protein S 1 FT #SUB 487 487 GLN L 65 65 THR M Protein S 2 FT #SUB 487 487 GLN L 66 66 LEU M Protein S 3 FT #SUB 490 490 LEU L 65 65 THR M Protein S 1 FT #SUB 490 490 LEU L 66 66 LEU M Protein S 2 FT #SUB 490 490 LEU L 69 69 VAL M Protein S 1 FT #SUB 493 493 GLN L 79 79 MET M Protein S 5 FT #SUB 494 494 LYS L 61 61 LEU M Protein A 6 FT #SUB 494 494 LYS L 64 64 PHE M Protein S 2 FT #SUB 496 496 LYS L 81 81 ILE M Protein B 3 FT #SUB 497 497 LEU L 53 53 VAL M Protein B 1 FT #SUB 497 497 LEU L 64 64 PHE M Protein S 1 FT #SUB 497 497 LEU L 78 78 ASP M Protein S 1 FT #SUB 497 497 LEU L 79 79 MET M Protein S 5 FT #SUB 497 497 LEU L 80 80 ARG M Protein S 3 FT #SUB 497 497 LEU L 81 81 ILE M Protein A 3 FT #SUB 497 497 LEU L 85 85 THR M Protein B 1 FT #SUB 498 498 THR L 61 61 LEU M Protein S 2 FT #SUB 498 498 THR L 85 85 THR M Protein B 2 FT #SUB 498 498 THR L 89 89 GLN M Protein B 4 FT #SUB 499 499 GLY L 89 89 GLN M Protein B 9 FT #SUB 500 500 ASP L 43 43 TYR M Protein A 10 FT #SUB 500 500 ASP L 44 44 PRO M Protein S 8 FT #SUB 500 500 ASP L 45 45 LEU M Protein S 10 FT #SUB 500 500 ASP L 46 46 ALA M Protein S 3 FT #SUB 500 500 ASP L 89 89 GLN M Protein A 7 FT #SUB 502 502 LEU L 86 86 LEU M Protein S 1 FT #SUB 502 502 LEU L 105 105 PHE M Protein A 3 FT #SUB 503 503 HIS L 43 43 TYR M Protein S 3 FT #SUB 503 503 HIS L 89 89 GLN M Protein S 6 FT #SUB 503 503 HIS L 92 92 ILE M Protein S 1 FT #SUB 503 503 HIS L 93 93 ALA M Protein S 3 FT #SUB 503 503 HIS L 105 105 PHE M Protein S 1 FT #SUB 504 504 THR L 98 98 ARG M Protein S 6 FT #SUB 504 504 THR L 101 101 LEU M Protein S 1 FT #SUB 513 513 GLN L 47 47 ASN M Protein S 4 FT #SUB 514 514 VAL L 43 43 TYR M Protein S 2 FT #SUB 514 514 VAL L 44 44 PRO M Protein S 2 FT #SUB 516 516 SER L 43 43 TYR M Protein S 4 FT #SUB 518 518 VAL L 40 40 VAL M Protein S 1 FT #SUB 518 518 VAL L 43 43 TYR M Protein S 5 FT #SUB 518 518 VAL L 98 98 ARG M Protein S 1 FT #SUB 519 519 ASN L 43 43 TYR M Protein S 1 FT #HET 141 141 GLN L 5 3602 K L S 2 FT #HET 170 170 GLU L 5 3602 K L S 3 FT #HET 172 172 THR L 8 1602 B12 E S 1 FT #HET 173 173 VAL L 8 1602 B12 E B 2 FT #HET 174 174 ALA L 8 1602 B12 E B 1 FT #HET 176 176 ALA L 8 1602 B12 E A 2 FT #HET 202 202 SER L 8 1602 B12 E A 2 FT #HET 203 203 LEU L 7 3604 K L B 3 FT #HET 205 205 GLU L 7 3604 K L S 3 FT #HET 205 205 GLU L 8 1602 B12 E S 4 FT #HET 208 208 GLU L 7 3604 K L S 2 FT #HET 221 221 GLU L 5 3602 K L S 3 FT #HET 222 222 THR L 7 3604 K L A 4 FT #HET 222 222 THR L 8 1602 B12 E B 2 FT #HET 224 224 SER L 8 1602 B12 E S 4 FT #HET 226 226 TYR L 8 1602 B12 E S 4 FT #HET 234 234 ASP L 8 1602 B12 E B 2 FT #HET 261 261 GLY L 6 3603 K L B 3 FT #HET 264 264 SER L 6 3603 K L S 1 FT #HET 265 265 GLU L 6 3603 K L S 3 FT #HET 267 267 GLN L 8 1602 B12 E S 7 FT #HET 268 268 MET L 8 1602 B12 E S 6 FT #HET 280 280 GLU L 6 3603 K L S 1 FT #HET 283 283 CYS L 6 3603 K L S 1 FT #HET 296 296 GLN L 5 3602 K L S 3 FT #HET 301 301 SER L 8 1602 B12 E A 5 FT #HET 302 302 CYS L 8 1602 B12 E S 1 FT #HET 336 336 GLN L 8 1602 B12 E S 1 FT #HET 362 362 SER L 5 3602 K L A 3 FT #HET 373 373 MET L 8 1602 B12 E B 3 FT #HET 374 374 PHE L 8 1602 B12 E A 9 FT #HET 375 375 ALA L 8 1602 B12 E A 4 FT DISORDER 552 554 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 551 AA (ATOM); CC MRSKRFEALA KRPVNQDGFV KEWIEEGFIA MESPNDPKPS IKIVNGAVTE LDGKPVSDFD CC LIDHFIARYG INLNRAEEVM AMDSVKLANM LCDPNVKRSE IVPLTTAMTP AKIVEVVSHM CC NVVEMMMAMQ KMRARRTPSQ QAHVTNVKDN PVQIAADAAE GAWRGFDEQE TTVAVARYAP CC FNAIALLVGS QVGRPGVLTQ CSLEEATELK LGMLGHTCYA ETISVYGTEP VFTDGDDTPW CC SKGFLASSYA SRGLKMRFTS GSGSEVQMGY AEGKSMLYLE ARCIYITKAA GVQGLQNGSV CC SCIGVPSAVP SGIRAVLAEN LICSSLDLEC ASSNDQTFTH SDMRRTARLL MQFLPGTDFI CC SSGYSAVPNY DNMFAGSNED AEDFDDYNVI QRDLKVDGGL RPVREEDVIA IRNKAARALQ CC AVFAGMGLPP ITDEEVEAAT YAHGSKDMPE RNIVEDIKFA QEIINKNRNG LEVVKALAQG CC GFTDVAQDML NIQKAKLTGD YLHTSAIIVG DGQVLSAVND VNDYAGPATG YRLQGERWEE CC IKNIPGALDP N CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MRSKRFEALAKRPVNQDGFVKEWIEEGFIAMESPNDPKPSIKIVNGAVTE CC ATOM MRSKRFEALAKRPVNQDGFVKEWIEEGFIAMESPNDPKPSIKIVNGAVTE CC ************************************************** CC SEQRES LDGKPVSDFDLIDHFIARYGINLNRAEEVMAMDSVKLANMLCDPNVKRSE CC ATOM LDGKPVSDFDLIDHFIARYGINLNRAEEVMAMDSVKLANMLCDPNVKRSE CC ************************************************** CC SEQRES IVPLTTAMTPAKIVEVVSHMNVVEMMMAMQKMRARRTPSQQAHVTNVKDN CC ATOM IVPLTTAMTPAKIVEVVSHMNVVEMMMAMQKMRARRTPSQQAHVTNVKDN CC ************************************************** CC SEQRES PVQIAADAAEGAWRGFDEQETTVAVARYAPFNAIALLVGSQVGRPGVLTQ CC ATOM PVQIAADAAEGAWRGFDEQETTVAVARYAPFNAIALLVGSQVGRPGVLTQ CC ************************************************** CC SEQRES CSLEEATELKLGMLGHTCYAETISVYGTEPVFTDGDDTPWSKGFLASSYA CC ATOM CSLEEATELKLGMLGHTCYAETISVYGTEPVFTDGDDTPWSKGFLASSYA CC ************************************************** CC SEQRES SRGLKMRFTSGSGSEVQMGYAEGKSMLYLEARCIYITKAAGVQGLQNGSV CC ATOM SRGLKMRFTSGSGSEVQMGYAEGKSMLYLEARCIYITKAAGVQGLQNGSV CC ************************************************** CC SEQRES SCIGVPSAVPSGIRAVLAENLICSSLDLECASSNDQTFTHSDMRRTARLL CC ATOM SCIGVPSAVPSGIRAVLAENLICSSLDLECASSNDQTFTHSDMRRTARLL CC ************************************************** CC SEQRES MQFLPGTDFISSGYSAVPNYDNMFAGSNEDAEDFDDYNVIQRDLKVDGGL CC ATOM MQFLPGTDFISSGYSAVPNYDNMFAGSNEDAEDFDDYNVIQRDLKVDGGL CC ************************************************** CC SEQRES RPVREEDVIAIRNKAARALQAVFAGMGLPPITDEEVEAATYAHGSKDMPE CC ATOM RPVREEDVIAIRNKAARALQAVFAGMGLPPITDEEVEAATYAHGSKDMPE CC ************************************************** CC SEQRES RNIVEDIKFAQEIINKNRNGLEVVKALAQGGFTDVAQDMLNIQKAKLTGD CC ATOM RNIVEDIKFAQEIINKNRNGLEVVKALAQGGFTDVAQDMLNIQKAKLTGD CC ************************************************** CC SEQRES YLHTSAIIVGDGQVLSAVNDVNDYAGPATGYRLQGERWEEIKNIPGALDP CC ATOM YLHTSAIIVGDGQVLSAVNDVNDYAGPATGYRLQGERWEEIKNIPGALDP CC ************************************************** CC SEQRES NEID CC ATOM N--- CC * SQ SEQUENCE 554 AA; MW; CN; MRSKRFEALA KRPVNQDGFV KEWIEEGFIA MESPNDPKPS IKIVNGAVTE LDGKPVSDFD LIDHFIARYG INLNRAEEVM AMDSVKLANM LCDPNVKRSE IVPLTTAMTP AKIVEVVSHM NVVEMMMAMQ KMRARRTPSQ QAHVTNVKDN PVQIAADAAE GAWRGFDEQE TTVAVARYAP FNAIALLVGS QVGRPGVLTQ CSLEEATELK LGMLGHTCYA ETISVYGTEP VFTDGDDTPW SKGFLASSYA SRGLKMRFTS GSGSEVQMGY AEGKSMLYLE ARCIYITKAA GVQGLQNGSV SCIGVPSAVP SGIRAVLAEN LICSSLDLEC ASSNDQTFTH SDMRRTARLL MQFLPGTDFI SSGYSAVPNY DNMFAGSNED AEDFDDYNVI QRDLKVDGGL RPVREEDVIA IRNKAARALQ AVFAGMGLPP ITDEEVEAAT YAHGSKDMPE RNIVEDIKFA QEIINKNRNG LEVVKALAQG GFTDVAQDML NIQKAKLTGD YLHTSAIIVG DGQVLSAVND VNDYAGPATG YRLQGERWEE IKNIPGALDP NEID // ID 1IWBE STANDARD; PRT; 224 AA. DT CONVERTED FROM PDB (SEQRES) 1IWB DE DIOL DEHYDRATASE beta chain OS Klebsiella oxytoca CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.181 FT #SUB 110 110 SER E 234 234 ASP L Protein S 4 FT #SUB 112 112 ASP E 234 234 ASP L Protein S 5 FT #SUB 115 115 PHE E 234 234 ASP L Protein S 7 FT #SUB 115 115 PHE E 236 236 ASP L Protein S 3 FT #SUB 146 146 PRO E 204 204 GLU L Protein S 4 FT #SUB 147 147 PRO E 236 236 ASP L Protein S 3 FT #SUB 148 148 LEU E 204 204 GLU L Protein A 4 FT #SUB 148 148 LEU E 235 235 GLY L Protein S 2 FT #SUB 148 148 LEU E 236 236 ASP L Protein S 1 FT #SUB 151 151 LEU E 177 177 ARG L Protein B 5 FT #SUB 152 152 GLU E 177 177 ARG L Protein S 1 FT #SUB 156 156 GLN E 375 375 ALA L Protein S 2 FT #SUB 175 175 TYR E 177 177 ARG L Protein S 5 FT #SUB 180 180 SER E 454 454 VAL L Protein A 2 FT #SUB 182 182 GLN E 453 453 ILE L Protein S 3 FT #SUB 182 182 GLN E 454 454 VAL L Protein S 1 FT #SUB 183 183 PRO E 175 175 VAL L Protein S 1 FT #SUB 183 183 PRO E 453 453 ILE L Protein S 2 FT #SUB 186 186 THR E 147 147 VAL L Protein S 4 FT #SUB 186 186 THR E 174 174 ALA L Protein S 2 FT #SUB 188 188 ASN E 370 370 TYR L Protein S 1 FT #SUB 188 188 ASN E 372 372 ASN L Protein S 4 FT #SUB 188 188 ASN E 375 375 ALA L Protein S 1 FT #SUB 190 190 GLN E 337 337 THR L Protein B 3 FT #SUB 190 190 GLN E 369 369 ASN L Protein S 6 FT #SUB 190 190 GLN E 370 370 TYR L Protein S 2 FT #SUB 190 190 GLN E 375 375 ALA L Protein A 4 FT #SUB 190 190 GLN E 376 376 GLY L Protein S 1 FT #SUB 191 191 MET E 337 337 THR L Protein S 2 FT #SUB 191 191 MET E 339 339 THR L Protein S 2 FT #SUB 191 191 MET E 340 340 HIS L Protein S 8 FT #SUB 193 193 ARG E 301 301 SER L Protein S 3 FT #SUB 193 193 ARG E 303 303 ILE L Protein S 1 FT #SUB 193 193 ARG E 336 336 GLN L Protein S 9 FT #SUB 193 193 ARG E 337 337 THR L Protein S 11 FT #SUB 193 193 ARG E 374 374 PHE L Protein S 3 FT #SUB 193 193 ARG E 375 375 ALA L Protein S 3 FT #SUB 193 193 ARG E 376 376 GLY L Protein S 1 FT #SUB 194 194 PRO E 18 18 GLY L Protein B 1 FT #SUB 194 194 PRO E 337 337 THR L Protein S 6 FT #SUB 194 194 PRO E 338 338 PHE L Protein A 6 FT #SUB 194 194 PRO E 339 339 THR L Protein S 2 FT #SUB 194 194 PRO E 340 340 HIS L Protein S 1 FT #SUB 195 195 LYS E 340 340 HIS L Protein S 5 FT #SUB 197 197 GLN E 267 267 GLN L Protein S 3 FT #SUB 197 197 GLN E 301 301 SER L Protein S 3 FT #SUB 197 197 GLN E 302 302 CYS L Protein S 6 FT #SUB 197 197 GLN E 303 303 ILE L Protein S 2 FT #SUB 197 197 GLN E 304 304 GLY L Protein S 4 FT #SUB 197 197 GLN E 305 305 VAL L Protein S 2 FT #SUB 198 198 ALA E 304 304 GLY L Protein S 1 FT #SUB 200 200 SER E 267 267 GLN L Protein S 1 FT #SUB 201 201 ALA E 267 267 GLN L Protein A 4 FT #SUB 202 202 ILE E 23 23 TRP L Protein S 1 FT #SUB 202 202 ILE E 28 28 PHE L Protein S 2 FT #SUB 204 204 HIS E 267 267 GLN L Protein S 2 FT #SUB 204 204 HIS E 268 268 MET L Protein S 5 FT #SUB 205 205 ILE E 23 23 TRP L Protein S 1 FT #SUB 205 205 ILE E 26 26 GLU L Protein S 2 FT #SUB 205 205 ILE E 266 266 VAL L Protein S 2 FT #SUB 205 205 ILE E 269 269 GLY L Protein S 1 FT #SUB 208 208 THR E 270 270 TYR L Protein S 4 FT #SUB 209 209 LYS E 26 26 GLU L Protein S 4 FT #SUB 211 211 VAL E 270 270 TYR L Protein S 1 FT #SUB 109 109 LYS E 173 173 ASP M Protein S 1 FT #SUB 147 147 PRO E 130 130 ARG M Protein S 2 FT #SUB 214 214 GLY E 173 173 ASP M Protein B 6 FT #HET 112 112 ASP E 8 1602 B12 E S 4 FT #HET 113 113 VAL E 8 1602 B12 E S 1 FT #HET 114 114 ALA E 8 1602 B12 E S 1 FT #HET 135 135 LYS E 8 1602 B12 E S 9 FT #HET 137 137 THR E 8 1602 B12 E S 7 FT #HET 148 148 LEU E 8 1602 B12 E A 3 FT #HET 150 150 ASN E 8 1602 B12 E S 3 FT #HET 153 153 LEU E 8 1602 B12 E S 5 FT #HET 155 155 PRO E 8 1602 B12 E A 24 FT #HET 156 156 GLN E 8 1602 B12 E A 10 FT #HET 157 157 ALA E 8 1602 B12 E A 6 FT #HET 158 158 PRO E 8 1602 B12 E S 3 FT #HET 193 193 ARG E 8 1602 B12 E S 3 FT #HET 196 196 TYR E 8 1602 B12 E A 3 FT #HET 197 197 GLN E 8 1602 B12 E S 1 FT #HET 200 200 SER E 8 1602 B12 E S 4 FT DISORDER 1 45 FT DISORDER 223 224 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 177 AA (ATOM); CC GFLTEVGEAR QGTQQDEVII AVGPAFGLAQ TVNIVGIPHK SILREVIAGI EEEGIKARVI CC RCFKSSDVAF VAVEGNRLSG SGISIGIQSK GTTVIHQQGL PPLSNLELFP QAPLLTLETY CC RQIGKNAARY AKRESPQPVP TLNDQMARPK YQAKSAILHI KETKYVVTGK NPQELRV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MEINEKLLRQIIEDVLSEMKGSDKPVSFNAPAASAAPQATPPAGDGFLTE CC ATOM ---------------------------------------------GFLTE CC ***** CC SEQRES VGEARQGTQQDEVIIAVGPAFGLAQTVNIVGIPHKSILREVIAGIEEEGI CC ATOM VGEARQGTQQDEVIIAVGPAFGLAQTVNIVGIPHKSILREVIAGIEEEGI CC ************************************************** CC SEQRES KARVIRCFKSSDVAFVAVEGNRLSGSGISIGIQSKGTTVIHQQGLPPLSN CC ATOM KARVIRCFKSSDVAFVAVEGNRLSGSGISIGIQSKGTTVIHQQGLPPLSN CC ************************************************** CC SEQRES LELFPQAPLLTLETYRQIGKNAARYAKRESPQPVPTLNDQMARPKYQAKS CC ATOM LELFPQAPLLTLETYRQIGKNAARYAKRESPQPVPTLNDQMARPKYQAKS CC ************************************************** CC SEQRES AILHIKETKYVVTGKNPQELRVAL CC ATOM AILHIKETKYVVTGKNPQELRV-- CC ********************** SQ SEQUENCE 224 AA; MW; CN; MEINEKLLRQ IIEDVLSEMK GSDKPVSFNA PAASAAPQAT PPAGDGFLTE VGEARQGTQQ DEVIIAVGPA FGLAQTVNIV GIPHKSILRE VIAGIEEEGI KARVIRCFKS SDVAFVAVEG NRLSGSGISI GIQSKGTTVI HQQGLPPLSN LELFPQAPLL TLETYRQIGK NAARYAKRES PQPVPTLNDQ MARPKYQAKS AILHIKETKY VVTGKNPQEL RVAL // ID 1IWBM STANDARD; PRT; 173 AA. DT CONVERTED FROM PDB (SEQRES) 1IWB DE DIOL DEHYDRATASE gamma chain OS Klebsiella oxytoca CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.181 FT #SUB 40 40 VAL M 518 518 VAL L Protein S 1 FT #SUB 43 43 TYR M 500 500 ASP L Protein S 10 FT #SUB 43 43 TYR M 503 503 HIS L Protein S 3 FT #SUB 43 43 TYR M 514 514 VAL L Protein S 2 FT #SUB 43 43 TYR M 516 516 SER L Protein S 4 FT #SUB 43 43 TYR M 518 518 VAL L Protein S 5 FT #SUB 43 43 TYR M 519 519 ASN L Protein S 1 FT #SUB 44 44 PRO M 500 500 ASP L Protein A 8 FT #SUB 44 44 PRO M 514 514 VAL L Protein S 2 FT #SUB 45 45 LEU M 500 500 ASP L Protein A 10 FT #SUB 46 46 ALA M 500 500 ASP L Protein A 3 FT #SUB 47 47 ASN M 513 513 GLN L Protein S 4 FT #SUB 53 53 VAL M 497 497 LEU L Protein S 1 FT #SUB 61 61 LEU M 494 494 LYS L Protein A 6 FT #SUB 61 61 LEU M 498 498 THR L Protein S 2 FT #SUB 64 64 PHE M 487 487 GLN L Protein B 1 FT #SUB 64 64 PHE M 494 494 LYS L Protein A 2 FT #SUB 64 64 PHE M 497 497 LEU L Protein S 1 FT #SUB 65 65 THR M 487 487 GLN L Protein B 2 FT #SUB 65 65 THR M 490 490 LEU L Protein B 1 FT #SUB 66 66 LEU M 478 478 ALA L Protein S 1 FT #SUB 66 66 LEU M 483 483 THR L Protein S 2 FT #SUB 66 66 LEU M 487 487 GLN L Protein A 3 FT #SUB 66 66 LEU M 490 490 LEU L Protein B 2 FT #SUB 69 69 VAL M 475 475 LYS L Protein B 1 FT #SUB 69 69 VAL M 490 490 LEU L Protein S 1 FT #SUB 70 70 LEU M 475 475 LYS L Protein S 1 FT #SUB 72 72 ASN M 475 475 LYS L Protein S 1 FT #SUB 76 76 ALA M 471 471 LEU L Protein B 2 FT #SUB 78 78 ASP M 497 497 LEU L Protein B 1 FT #SUB 79 79 MET M 471 471 LEU L Protein S 3 FT #SUB 79 79 MET M 493 493 GLN L Protein A 5 FT #SUB 79 79 MET M 497 497 LEU L Protein B 5 FT #SUB 80 80 ARG M 252 252 ARG L Protein S 3 FT #SUB 80 80 ARG M 497 497 LEU L Protein B 3 FT #SUB 81 81 ILE M 251 251 SER L Protein S 1 FT #SUB 81 81 ILE M 252 252 ARG L Protein S 1 FT #SUB 81 81 ILE M 253 253 GLY L Protein S 2 FT #SUB 81 81 ILE M 496 496 LYS L Protein S 3 FT #SUB 81 81 ILE M 497 497 LEU L Protein A 3 FT #SUB 85 85 THR M 497 497 LEU L Protein S 1 FT #SUB 85 85 THR M 498 498 THR L Protein S 2 FT #SUB 86 86 LEU M 250 250 ALA L Protein S 2 FT #SUB 86 86 LEU M 251 251 SER L Protein S 1 FT #SUB 86 86 LEU M 502 502 LEU L Protein S 1 FT #SUB 89 89 GLN M 498 498 THR L Protein S 4 FT #SUB 89 89 GLN M 499 499 GLY L Protein S 9 FT #SUB 89 89 GLN M 500 500 ASP L Protein S 7 FT #SUB 89 89 GLN M 503 503 HIS L Protein A 6 FT #SUB 92 92 ILE M 503 503 HIS L Protein S 1 FT #SUB 93 93 ALA M 503 503 HIS L Protein A 3 FT #SUB 98 98 ARG M 327 327 ASP L Protein S 10 FT #SUB 98 98 ARG M 504 504 THR L Protein S 6 FT #SUB 98 98 ARG M 518 518 VAL L Protein S 1 FT #SUB 100 100 ARG M 69 69 TYR L Protein S 13 FT #SUB 100 100 ARG M 288 288 LYS L Protein S 3 FT #SUB 100 100 ARG M 289 289 ALA L Protein S 1 FT #SUB 100 100 ARG M 291 291 GLY L Protein A 3 FT #SUB 101 101 LEU M 291 291 GLY L Protein A 3 FT #SUB 101 101 LEU M 504 504 THR L Protein S 1 FT #SUB 103 103 MET M 69 69 TYR L Protein S 1 FT #SUB 103 103 MET M 289 289 ALA L Protein S 1 FT #SUB 104 104 ASN M 246 246 ALA L Protein S 2 FT #SUB 104 104 ASN M 247 247 SER L Protein A 6 FT #SUB 104 104 ASN M 290 290 ALA L Protein S 1 FT #SUB 104 104 ASN M 291 291 GLY L Protein S 6 FT #SUB 105 105 PHE M 502 502 LEU L Protein S 3 FT #SUB 105 105 PHE M 503 503 HIS L Protein S 1 FT #SUB 107 107 ARG M 243 243 GLY L Protein S 2 FT #SUB 107 107 ARG M 247 247 SER L Protein S 7 FT #SUB 107 107 ARG M 290 290 ALA L Protein S 3 FT #SUB 108 108 ALA M 247 247 SER L Protein A 2 FT #SUB 108 108 ALA M 250 250 ALA L Protein S 2 FT #SUB 108 108 ALA M 251 251 SER L Protein A 6 FT #SUB 111 111 LEU M 244 244 PHE L Protein S 4 FT #SUB 111 111 LEU M 248 248 SER L Protein S 1 FT #SUB 111 111 LEU M 251 251 SER L Protein A 2 FT #SUB 111 111 LEU M 252 252 ARG L Protein B 2 FT #SUB 112 112 THR M 251 251 SER L Protein A 2 FT #SUB 112 112 THR M 252 252 ARG L Protein B 1 FT #SUB 114 114 VAL M 252 252 ARG L Protein B 4 FT #SUB 115 115 PRO M 252 252 ARG L Protein B 1 FT #SUB 116 116 ASP M 213 213 MET L Protein A 10 FT #SUB 116 116 ASP M 252 252 ARG L Protein A 7 FT #SUB 119 119 ILE M 213 213 MET L Protein S 2 FT #SUB 119 119 ILE M 244 244 PHE L Protein B 1 FT #SUB 119 119 ILE M 248 248 SER L Protein S 2 FT #SUB 119 119 ILE M 252 252 ARG L Protein S 4 FT #SUB 120 120 LEU M 206 206 ALA L Protein S 1 FT #SUB 120 120 LEU M 209 209 LEU L Protein S 1 FT #SUB 120 120 LEU M 210 210 LYS L Protein S 1 FT #SUB 120 120 LEU M 213 213 MET L Protein S 2 FT #SUB 122 122 ILE M 244 244 PHE L Protein S 5 FT #SUB 123 123 TYR M 205 205 GLU L Protein S 4 FT #SUB 123 123 TYR M 237 237 ASP L Protein S 5 FT #SUB 123 123 TYR M 241 241 SER L Protein S 4 FT #SUB 123 123 TYR M 244 244 PHE L Protein B 2 FT #SUB 123 123 TYR M 245 245 LEU L Protein S 3 FT #SUB 124 124 ASN M 206 206 ALA L Protein S 1 FT #SUB 126 126 LEU M 241 241 SER L Protein A 4 FT #SUB 126 126 LEU M 244 244 PHE L Protein S 2 FT #SUB 127 127 ARG M 204 204 GLU L Protein S 5 FT #SUB 127 127 ARG M 205 205 GLU L Protein S 1 FT #SUB 127 127 ARG M 206 206 ALA L Protein S 1 FT #SUB 127 127 ARG M 236 236 ASP L Protein S 8 FT #SUB 127 127 ARG M 237 237 ASP L Protein S 1 FT #SUB 128 128 PRO M 233 233 THR L Protein S 1 FT #SUB 128 128 PRO M 236 236 ASP L Protein S 5 FT #SUB 128 128 PRO M 237 237 ASP L Protein S 7 FT #SUB 129 129 TYR M 233 233 THR L Protein S 3 FT #SUB 130 130 ARG M 236 236 ASP L Protein S 8 FT #SUB 155 155 PHE M 65 65 PHE L Protein S 1 FT #SUB 155 155 PHE M 69 69 TYR L Protein S 1 FT #SUB 155 155 PHE M 240 240 TRP L Protein A 18 FT #SUB 155 155 PHE M 244 244 PHE L Protein S 1 FT #SUB 158 158 GLU M 68 68 ARG L Protein S 6 FT #SUB 158 158 GLU M 69 69 TYR L Protein S 7 FT #SUB 158 158 GLU M 240 240 TRP L Protein S 10 FT #SUB 159 159 ALA M 240 240 TRP L Protein S 3 FT #SUB 162 162 LEU M 61 61 LEU L Protein S 1 FT #SUB 162 162 LEU M 64 64 HIS L Protein S 3 FT #SUB 162 162 LEU M 68 68 ARG L Protein S 2 FT #SUB 162 162 LEU M 240 240 TRP L Protein S 3 FT #SUB 163 163 TYR M 238 238 THR L Protein S 7 FT #SUB 163 163 TYR M 240 240 TRP L Protein S 1 FT #SUB 163 163 TYR M 241 241 SER L Protein S 1 FT #SUB 165 165 GLU M 59 59 PHE L Protein S 1 FT #SUB 165 165 GLU M 64 64 HIS L Protein S 4 FT #SUB 166 166 ARG M 59 59 PHE L Protein S 2 FT #SUB 166 166 ARG M 60 60 ASP L Protein S 3 FT #SUB 166 166 ARG M 61 61 LEU L Protein S 4 FT #SUB 166 166 ARG M 229 229 GLU L Protein S 10 FT #SUB 168 168 LYS M 61 61 LEU L Protein S 1 FT #SUB 168 168 LYS M 233 233 THR L Protein S 4 FT #SUB 130 130 ARG M 147 147 PRO E Protein S 2 FT #SUB 173 173 ASP M 109 109 LYS E Protein B 1 FT #SUB 173 173 ASP M 214 214 GLY E Protein B 6 FT DISORDER 1 36 CC SEQUENCE 137 AA (ATOM); CC SARVSDYPLA NKHPEWVKTA TNKTLDDFTL ENVLSNKVTA QDMRITPETL RLQASIAKDA CC GRDRLAMNFE RAAELTAVPD DRILEIYNAL RPYRSTKEEL LAIADDLESR YQAKICAAFV CC REAATLYVER KKLKGDD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNTDAIESMVRDVLSRMNSLQGEAPAAAPAAGGASRSARVSDYPLANKHP CC ATOM ------------------------------------SARVSDYPLANKHP CC ************** CC SEQRES EWVKTATNKTLDDFTLENVLSNKVTAQDMRITPETLRLQASIAKDAGRDR CC ATOM EWVKTATNKTLDDFTLENVLSNKVTAQDMRITPETLRLQASIAKDAGRDR CC ************************************************** CC SEQRES LAMNFERAAELTAVPDDRILEIYNALRPYRSTKEELLAIADDLESRYQAK CC ATOM LAMNFERAAELTAVPDDRILEIYNALRPYRSTKEELLAIADDLESRYQAK CC ************************************************** CC SEQRES ICAAFVREAATLYVERKKLKGDD CC ATOM ICAAFVREAATLYVERKKLKGDD CC *********************** SQ SEQUENCE 173 AA; MW; CN; MNTDAIESMV RDVLSRMNSL QGEAPAAAPA AGGASRSARV SDYPLANKHP EWVKTATNKT LDDFTLENVL SNKVTAQDMR ITPETLRLQA SIAKDAGRDR LAMNFERAAE LTAVPDDRIL EIYNALRPYR STKEELLAIA DDLESRYQAK ICAAFVREAA TLYVERKKLK GDD //