ID 3PGHA STANDARD; PRT; 587 AA. DT CONVERTED FROM PDB (SEQRES) 3PGH DE CYCLOOXYGENASE-2 OS Mus musculus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.236 FT #SUB 14 46 GLU A 512 543 GLN B Protein S 1 FT #SUB 14 46 GLU A 515 546 LYS B Protein S 5 FT #SUB 14 46 GLU A 517 548 SER B Protein S 3 FT #SUB 16 48 MET A 292 323 TRP B Protein S 1 FT #SUB 16 48 MET A 517 548 SER B Protein S 6 FT #SUB 16 48 MET A 520 551 GLY B Protein S 6 FT #SUB 16 48 MET A 521 552 GLY B Protein S 3 FT #SUB 17 49 SER A 289 320 HIS B Protein B 6 FT #SUB 17 49 SER A 291 322 GLU B Protein A 4 FT #SUB 17 49 SER A 292 323 TRP B Protein S 1 FT #SUB 18 50 THR A 289 320 HIS B Protein B 1 FT #SUB 18 50 THR A 291 322 GLU B Protein B 1 FT #SUB 19 51 GLY A 291 322 GLU B Protein B 13 FT #SUB 20 52 PHE A 290 321 PRO B Protein S 3 FT #SUB 20 52 PHE A 291 322 GLU B Protein A 6 FT #SUB 26 58 ASP A 515 546 LYS B Protein S 4 FT #SUB 26 58 ASP A 516 547 PRO B Protein S 2 FT #SUB 26 58 ASP A 517 548 SER B Protein S 7 FT #SUB 28 60 THR A 515 546 LYS B Protein B 1 FT #SUB 29 61 ARG A 333 364 GLU B Protein S 1 FT #SUB 29 61 ARG A 336 367 PHE B Protein S 5 FT #SUB 29 61 ARG A 511 542 PRO B Protein S 4 FT #SUB 29 61 ARG A 514 545 TRP B Protein S 3 FT #SUB 95 126 SER A 512 543 GLN B Protein B 6 FT #SUB 96 127 PRO A 342 373 TYR B Protein S 2 FT #SUB 96 127 PRO A 510 541 SER B Protein S 3 FT #SUB 96 127 PRO A 512 543 GLN B Protein A 11 FT #SUB 96 127 PRO A 513 544 TYR B Protein B 1 FT #SUB 97 128 PRO A 513 544 TYR B Protein B 4 FT #SUB 98 129 THR A 513 544 TYR B Protein S 1 FT #SUB 103 134 TYR A 295 326 GLU B Protein S 3 FT #SUB 103 134 TYR A 299 330 GLN B Protein S 1 FT #SUB 105 136 TYR A 295 326 GLU B Protein S 3 FT #SUB 105 136 TYR A 296 327 GLN B Protein S 11 FT #SUB 105 136 TYR A 299 330 GLN B Protein S 2 FT #SUB 106 137 LYS A 512 543 GLN B Protein S 1 FT #SUB 106 137 LYS A 513 544 TYR B Protein A 5 FT #SUB 106 137 LYS A 518 549 THR B Protein S 6 FT #SUB 107 138 SER A 299 330 GLN B Protein S 3 FT #SUB 107 138 SER A 303 334 LEU B Protein B 1 FT #SUB 108 139 TRP A 198 229 ASP B Protein S 4 FT #SUB 108 139 TRP A 299 330 GLN B Protein B 1 FT #SUB 108 139 TRP A 302 333 LYS B Protein S 2 FT #SUB 108 139 TRP A 303 334 LEU B Protein A 2 FT #SUB 108 139 TRP A 306 337 ILE B Protein S 1 FT #SUB 108 139 TRP A 506 537 ASN B Protein S 1 FT #SUB 108 139 TRP A 507 538 PRO B Protein S 4 FT #SUB 109 140 GLU A 299 330 GLN B Protein A 4 FT #SUB 111 142 PHE A 507 538 PRO B Protein S 8 FT #SUB 111 142 PHE A 513 544 TYR B Protein S 2 FT #SUB 198 229 ASP A 108 139 TRP B Protein A 5 FT #SUB 289 320 HIS A 16 48 MET B Protein S 3 FT #SUB 289 320 HIS A 17 49 SER B Protein S 5 FT #SUB 289 320 HIS A 18 50 THR B Protein S 2 FT #SUB 290 321 PRO A 20 52 PHE B Protein A 3 FT #SUB 291 322 GLU A 17 49 SER B Protein S 4 FT #SUB 291 322 GLU A 18 50 THR B Protein S 1 FT #SUB 291 322 GLU A 19 51 GLY B Protein S 12 FT #SUB 291 322 GLU A 20 52 PHE B Protein A 6 FT #SUB 292 323 TRP A 16 48 MET B Protein S 1 FT #SUB 292 323 TRP A 17 49 SER B Protein S 1 FT #SUB 295 326 GLU A 103 134 TYR B Protein S 3 FT #SUB 295 326 GLU A 105 136 TYR B Protein A 3 FT #SUB 296 327 GLN A 105 136 TYR B Protein A 11 FT #SUB 299 330 GLN A 103 134 TYR B Protein S 1 FT #SUB 299 330 GLN A 105 136 TYR B Protein S 2 FT #SUB 299 330 GLN A 107 138 SER B Protein S 1 FT #SUB 299 330 GLN A 108 139 TRP B Protein S 1 FT #SUB 299 330 GLN A 109 140 GLU B Protein S 4 FT #SUB 302 333 LYS A 108 139 TRP B Protein S 2 FT #SUB 303 334 LEU A 107 138 SER B Protein S 1 FT #SUB 303 334 LEU A 108 139 TRP B Protein S 2 FT #SUB 306 337 ILE A 108 139 TRP B Protein S 1 FT #SUB 336 367 PHE A 29 61 ARG B Protein S 4 FT #SUB 336 367 PHE A 339 370 GLN B Protein B 4 FT #SUB 337 368 ASN A 339 370 GLN B Protein B 4 FT #SUB 338 369 GLN A 339 370 GLN B Protein B 6 FT #SUB 339 370 GLN A 336 367 PHE B Protein S 4 FT #SUB 339 370 GLN A 337 368 ASN B Protein S 4 FT #SUB 339 370 GLN A 338 369 GLN B Protein S 6 FT #SUB 340 371 PHE A 341 372 GLN B Protein B 3 FT #SUB 341 372 GLN A 340 371 PHE B Protein S 3 FT #SUB 341 372 GLN A 341 372 GLN B Protein A 15 FT #SUB 341 372 GLN A 342 373 TYR B Protein S 4 FT #SUB 342 373 TYR A 96 127 PRO B Protein B 1 FT #SUB 342 373 TYR A 341 372 GLN B Protein A 5 FT #SUB 342 373 TYR A 343 374 GLN B Protein B 2 FT #SUB 343 374 GLN A 342 373 TYR B Protein S 2 FT #SUB 343 374 GLN A 343 374 GLN B Protein S 2 FT #SUB 506 537 ASN A 108 139 TRP B Protein S 1 FT #SUB 507 538 PRO A 108 139 TRP B Protein S 2 FT #SUB 507 538 PRO A 111 142 PHE B Protein S 9 FT #SUB 510 541 SER A 96 127 PRO B Protein S 3 FT #SUB 511 542 PRO A 29 61 ARG B Protein B 4 FT #SUB 512 543 GLN A 14 46 GLU B Protein B 1 FT #SUB 512 543 GLN A 95 126 SER B Protein S 8 FT #SUB 512 543 GLN A 96 127 PRO B Protein S 11 FT #SUB 512 543 GLN A 106 137 LYS B Protein B 1 FT #SUB 513 544 TYR A 97 128 PRO B Protein S 3 FT #SUB 513 544 TYR A 98 129 THR B Protein S 1 FT #SUB 513 544 TYR A 106 137 LYS B Protein S 5 FT #SUB 513 544 TYR A 111 142 PHE B Protein S 4 FT #SUB 514 545 TRP A 29 61 ARG B Protein B 3 FT #SUB 515 546 LYS A 14 46 GLU B Protein S 6 FT #SUB 515 546 LYS A 26 58 ASP B Protein A 5 FT #SUB 515 546 LYS A 28 60 THR B Protein S 2 FT #SUB 516 547 PRO A 26 58 ASP B Protein A 3 FT #SUB 517 548 SER A 14 46 GLU B Protein S 3 FT #SUB 517 548 SER A 16 48 MET B Protein A 4 FT #SUB 517 548 SER A 26 58 ASP B Protein A 8 FT #SUB 518 549 THR A 106 137 LYS B Protein A 6 FT #SUB 520 551 GLY A 16 48 MET B Protein B 7 FT #SUB 521 552 GLY A 16 48 MET B Protein B 3 FT #SUB 534 565 GLN A 236 267 LYS D Protein S 2 FT #SUB 534 565 GLN A 237 268 ASP D Protein A 7 FT #SUB 535 566 SER A 237 268 ASP D Protein B 2 FT #SUB 538 569 CYS A 237 268 ASP D Protein S 4 FT #SUB 543 574 GLY A 224 255 GLN D Protein B 3 FT #SUB 543 574 GLY A 225 256 VAL D Protein B 5 FT #SUB 544 575 CYS A 223 254 TYR D Protein S 2 FT #SUB 544 575 CYS A 224 255 GLN D Protein A 3 FT #SUB 546 577 PHE A 236 267 LYS D Protein S 4 FT #SUB 546 577 PHE A 250 281 GLU D Protein S 2 FT #SUB 546 577 PHE A 251 282 ASN D Protein S 2 FT #SUB 547 578 THR A 236 267 LYS D Protein B 3 FT #HET 8 40 PRO A 1 661 NAG A S 2 FT #HET 23 55 TYR A 1 661 NAG A S 4 FT #HET 35 67 GLU A 1 661 NAG A S 8 FT #HET 85 116 VAL A 5 701 FLP A S 2 FT #HET 89 120 ARG A 5 701 FLP A S 7 FT #HET 103 134 TYR A 2 671 NAG A S 1 FT #HET 109 140 GLU A 2 671 NAG A S 9 FT #HET 116 147 TYR A 2 671 NAG A S 11 FT #HET 117 148 TYR A 4 682 HEM A S 1 FT #HET 168 199 ALA A 4 682 HEM A B 1 FT #HET 171 202 ALA A 4 682 HEM A B 1 FT #HET 172 203 GLN A 4 682 HEM A S 12 FT #HET 176 207 HIS A 4 682 HEM A S 5 FT #HET 179 210 PHE A 4 682 HEM A A 7 FT #HET 180 211 LYS A 4 682 HEM A B 3 FT #HET 181 212 THR A 4 682 HEM A A 8 FT #HET 183 214 HIS A 4 682 HEM A S 1 FT #HET 185 216 ARG A 2 671 NAG A S 1 FT #HET 207 238 LEU A 7 671 NAG B S 2 FT #HET 318 349 VAL A 5 701 FLP A S 4 FT #HET 321 352 LEU A 5 701 FLP A S 1 FT #HET 324 355 TYR A 5 701 FLP A S 5 FT #HET 328 359 LEU A 5 701 FLP A S 2 FT #HET 351 382 ASN A 4 682 HEM A A 6 FT #HET 354 385 TYR A 4 682 HEM A A 6 FT #HET 354 385 TYR A 5 701 FLP A S 5 FT #HET 355 386 HIS A 4 682 HEM A S 11 FT #HET 356 387 TRP A 4 682 HEM A A 2 FT #HET 356 387 TRP A 5 701 FLP A S 2 FT #HET 357 388 HIS A 4 682 HEM A S 28 FT #HET 360 391 LEU A 4 682 HEM A S 8 FT #HET 371 402 TYR A 3 681 NAG A S 3 FT #HET 375 406 GLN A 3 681 NAG A A 4 FT #HET 382 413 ILE A 3 681 NAG A A 3 FT #HET 385 416 GLU A 3 681 NAG A S 1 FT #HET 416 447 VAL A 4 682 HEM A S 8 FT #HET 423 454 GLN A 4 682 HEM A S 2 FT #HET 491 522 MET A 5 701 FLP A B 1 FT #HET 492 523 VAL A 5 701 FLP A S 2 FT #HET 495 526 GLY A 5 701 FLP A B 5 FT #HET 496 527 ALA A 5 701 FLP A A 11 FT #HET 499 530 SER A 5 701 FLP A S 4 FT #HET 500 531 LEU A 5 701 FLP A S 2 FT #MOD 36 68 ASN A 1 661 NAG A S FT #MOD 113 144 ASN A 2 671 NAG A S FT #MOD 379 410 ASN A 3 681 NAG A S FT DISORDER 553 587 CC SEQUENCE 552 AA (ATOM); CC ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI CC LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA CC LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK CC TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV CC EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT CC SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL CC PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS CC IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK CC PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN CC VKGCPFTSFN VQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ATOM ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ************************************************** CC SEQRES KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ATOM KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ************************************************** CC SEQRES VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ATOM VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ************************************************** CC SEQRES LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ATOM LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ************************************************** CC SEQRES HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ATOM HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ************************************************** CC SEQRES NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ATOM NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ************************************************** CC SEQRES SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ATOM SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ************************************************** CC SEQRES NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ATOM NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ************************************************** CC SEQRES GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ATOM GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ************************************************** CC SEQRES TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ATOM TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ************************************************** CC SEQRES KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ATOM KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ************************************************** CC SEQRES VQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL CC ATOM VQ----------------------------------- CC ** SQ SEQUENCE 587 AA; MW; CN; ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN VKGCPFTSFN VQDPQPTKTA TINASASHSR LDDINPTVLI KRRSTEL // ID 3PGHB STANDARD; PRT; 587 AA. DT CONVERTED FROM PDB (SEQRES) 3PGH DE CYCLOOXYGENASE-2 OS Mus musculus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.236 FT #SUB 14 46 GLU B 512 543 GLN A Protein S 1 FT #SUB 14 46 GLU B 515 546 LYS A Protein S 6 FT #SUB 14 46 GLU B 517 548 SER A Protein S 3 FT #SUB 16 48 MET B 289 320 HIS A Protein S 3 FT #SUB 16 48 MET B 292 323 TRP A Protein S 1 FT #SUB 16 48 MET B 517 548 SER A Protein S 4 FT #SUB 16 48 MET B 520 551 GLY A Protein S 7 FT #SUB 16 48 MET B 521 552 GLY A Protein S 3 FT #SUB 17 49 SER B 289 320 HIS A Protein B 5 FT #SUB 17 49 SER B 291 322 GLU A Protein A 4 FT #SUB 17 49 SER B 292 323 TRP A Protein S 1 FT #SUB 18 50 THR B 289 320 HIS A Protein B 2 FT #SUB 18 50 THR B 291 322 GLU A Protein B 1 FT #SUB 19 51 GLY B 291 322 GLU A Protein B 12 FT #SUB 20 52 PHE B 290 321 PRO A Protein S 3 FT #SUB 20 52 PHE B 291 322 GLU A Protein A 6 FT #SUB 26 58 ASP B 515 546 LYS A Protein S 5 FT #SUB 26 58 ASP B 516 547 PRO A Protein S 3 FT #SUB 26 58 ASP B 517 548 SER A Protein S 8 FT #SUB 28 60 THR B 515 546 LYS A Protein A 2 FT #SUB 29 61 ARG B 336 367 PHE A Protein S 4 FT #SUB 29 61 ARG B 511 542 PRO A Protein S 4 FT #SUB 29 61 ARG B 514 545 TRP A Protein S 3 FT #SUB 95 126 SER B 512 543 GLN A Protein B 8 FT #SUB 96 127 PRO B 342 373 TYR A Protein S 1 FT #SUB 96 127 PRO B 510 541 SER A Protein S 3 FT #SUB 96 127 PRO B 512 543 GLN A Protein A 11 FT #SUB 97 128 PRO B 513 544 TYR A Protein B 3 FT #SUB 98 129 THR B 513 544 TYR A Protein S 1 FT #SUB 103 134 TYR B 295 326 GLU A Protein S 3 FT #SUB 103 134 TYR B 299 330 GLN A Protein S 1 FT #SUB 105 136 TYR B 295 326 GLU A Protein S 3 FT #SUB 105 136 TYR B 296 327 GLN A Protein S 11 FT #SUB 105 136 TYR B 299 330 GLN A Protein S 2 FT #SUB 106 137 LYS B 512 543 GLN A Protein S 1 FT #SUB 106 137 LYS B 513 544 TYR A Protein A 5 FT #SUB 106 137 LYS B 518 549 THR A Protein S 6 FT #SUB 107 138 SER B 299 330 GLN A Protein S 1 FT #SUB 107 138 SER B 303 334 LEU A Protein B 1 FT #SUB 108 139 TRP B 198 229 ASP A Protein S 5 FT #SUB 108 139 TRP B 299 330 GLN A Protein B 1 FT #SUB 108 139 TRP B 302 333 LYS A Protein S 2 FT #SUB 108 139 TRP B 303 334 LEU A Protein A 2 FT #SUB 108 139 TRP B 306 337 ILE A Protein S 1 FT #SUB 108 139 TRP B 506 537 ASN A Protein S 1 FT #SUB 108 139 TRP B 507 538 PRO A Protein S 2 FT #SUB 109 140 GLU B 299 330 GLN A Protein A 4 FT #SUB 111 142 PHE B 507 538 PRO A Protein S 9 FT #SUB 111 142 PHE B 513 544 TYR A Protein A 4 FT #SUB 198 229 ASP B 108 139 TRP A Protein A 4 FT #SUB 289 320 HIS B 17 49 SER A Protein S 6 FT #SUB 289 320 HIS B 18 50 THR A Protein S 1 FT #SUB 290 321 PRO B 20 52 PHE A Protein A 3 FT #SUB 291 322 GLU B 17 49 SER A Protein S 4 FT #SUB 291 322 GLU B 18 50 THR A Protein S 1 FT #SUB 291 322 GLU B 19 51 GLY A Protein S 13 FT #SUB 291 322 GLU B 20 52 PHE A Protein A 6 FT #SUB 292 323 TRP B 16 48 MET A Protein S 1 FT #SUB 292 323 TRP B 17 49 SER A Protein S 1 FT #SUB 295 326 GLU B 103 134 TYR A Protein S 3 FT #SUB 295 326 GLU B 105 136 TYR A Protein A 3 FT #SUB 296 327 GLN B 105 136 TYR A Protein A 11 FT #SUB 299 330 GLN B 103 134 TYR A Protein S 1 FT #SUB 299 330 GLN B 105 136 TYR A Protein S 2 FT #SUB 299 330 GLN B 107 138 SER A Protein S 3 FT #SUB 299 330 GLN B 108 139 TRP A Protein S 1 FT #SUB 299 330 GLN B 109 140 GLU A Protein S 4 FT #SUB 302 333 LYS B 108 139 TRP A Protein S 2 FT #SUB 303 334 LEU B 107 138 SER A Protein S 1 FT #SUB 303 334 LEU B 108 139 TRP A Protein S 2 FT #SUB 306 337 ILE B 108 139 TRP A Protein S 1 FT #SUB 333 364 GLU B 29 61 ARG A Protein S 1 FT #SUB 336 367 PHE B 29 61 ARG A Protein S 5 FT #SUB 336 367 PHE B 339 370 GLN A Protein B 4 FT #SUB 337 368 ASN B 339 370 GLN A Protein B 4 FT #SUB 338 369 GLN B 339 370 GLN A Protein B 6 FT #SUB 339 370 GLN B 336 367 PHE A Protein S 4 FT #SUB 339 370 GLN B 337 368 ASN A Protein S 4 FT #SUB 339 370 GLN B 338 369 GLN A Protein S 6 FT #SUB 340 371 PHE B 341 372 GLN A Protein B 3 FT #SUB 341 372 GLN B 340 371 PHE A Protein S 3 FT #SUB 341 372 GLN B 341 372 GLN A Protein A 15 FT #SUB 341 372 GLN B 342 373 TYR A Protein S 5 FT #SUB 342 373 TYR B 96 127 PRO A Protein A 2 FT #SUB 342 373 TYR B 341 372 GLN A Protein A 4 FT #SUB 342 373 TYR B 343 374 GLN A Protein B 2 FT #SUB 343 374 GLN B 342 373 TYR A Protein S 2 FT #SUB 343 374 GLN B 343 374 GLN A Protein S 2 FT #SUB 506 537 ASN B 108 139 TRP A Protein S 1 FT #SUB 507 538 PRO B 108 139 TRP A Protein S 4 FT #SUB 507 538 PRO B 111 142 PHE A Protein S 8 FT #SUB 510 541 SER B 96 127 PRO A Protein S 3 FT #SUB 511 542 PRO B 29 61 ARG A Protein B 4 FT #SUB 512 543 GLN B 14 46 GLU A Protein B 1 FT #SUB 512 543 GLN B 95 126 SER A Protein S 6 FT #SUB 512 543 GLN B 96 127 PRO A Protein S 11 FT #SUB 512 543 GLN B 106 137 LYS A Protein B 1 FT #SUB 513 544 TYR B 96 127 PRO A Protein S 1 FT #SUB 513 544 TYR B 97 128 PRO A Protein S 4 FT #SUB 513 544 TYR B 98 129 THR A Protein S 1 FT #SUB 513 544 TYR B 106 137 LYS A Protein S 5 FT #SUB 513 544 TYR B 111 142 PHE A Protein S 2 FT #SUB 514 545 TRP B 29 61 ARG A Protein B 3 FT #SUB 515 546 LYS B 14 46 GLU A Protein S 5 FT #SUB 515 546 LYS B 26 58 ASP A Protein A 4 FT #SUB 515 546 LYS B 28 60 THR A Protein S 1 FT #SUB 516 547 PRO B 26 58 ASP A Protein A 2 FT #SUB 517 548 SER B 14 46 GLU A Protein S 3 FT #SUB 517 548 SER B 16 48 MET A Protein A 6 FT #SUB 517 548 SER B 26 58 ASP A Protein A 7 FT #SUB 518 549 THR B 106 137 LYS A Protein A 6 FT #SUB 520 551 GLY B 16 48 MET A Protein B 6 FT #SUB 521 552 GLY B 16 48 MET A Protein B 3 FT #HET 8 40 PRO B 6 661 NAG B S 3 FT #HET 23 55 TYR B 6 661 NAG B S 4 FT #HET 35 67 GLU B 6 661 NAG B S 9 FT #HET 89 120 ARG B 10 701 FLP B S 7 FT #HET 109 140 GLU B 7 671 NAG B S 8 FT #HET 116 147 TYR B 7 671 NAG B S 15 FT #HET 117 148 TYR B 9 682 HEM B S 1 FT #HET 168 199 ALA B 9 682 HEM B B 2 FT #HET 171 202 ALA B 9 682 HEM B A 3 FT #HET 172 203 GLN B 9 682 HEM B A 25 FT #HET 175 206 THR B 9 682 HEM B S 1 FT #HET 176 207 HIS B 9 682 HEM B S 7 FT #HET 179 210 PHE B 9 682 HEM B A 7 FT #HET 180 211 LYS B 9 682 HEM B B 3 FT #HET 181 212 THR B 9 682 HEM B A 8 FT #HET 185 216 ARG B 7 671 NAG B S 1 FT #HET 207 238 LEU B 2 671 NAG A S 4 FT #HET 264 295 VAL B 9 682 HEM B S 1 FT #HET 318 349 VAL B 10 701 FLP B S 3 FT #HET 321 352 LEU B 10 701 FLP B S 1 FT #HET 324 355 TYR B 10 701 FLP B S 7 FT #HET 328 359 LEU B 10 701 FLP B S 1 FT #HET 351 382 ASN B 9 682 HEM B A 8 FT #HET 354 385 TYR B 9 682 HEM B B 4 FT #HET 354 385 TYR B 10 701 FLP B S 3 FT #HET 355 386 HIS B 9 682 HEM B S 7 FT #HET 356 387 TRP B 10 701 FLP B S 5 FT #HET 357 388 HIS B 9 682 HEM B S 24 FT #HET 360 391 LEU B 9 682 HEM B S 3 FT #HET 371 402 TYR B 8 681 NAG B S 4 FT #HET 382 413 ILE B 8 681 NAG B A 8 FT #HET 385 416 GLU B 8 681 NAG B S 1 FT #HET 416 447 VAL B 9 682 HEM B S 7 FT #HET 423 454 GLN B 9 682 HEM B S 3 FT #HET 491 522 MET B 10 701 FLP B A 4 FT #HET 492 523 VAL B 10 701 FLP B A 6 FT #HET 495 526 GLY B 10 701 FLP B B 3 FT #HET 496 527 ALA B 10 701 FLP B A 9 FT #MOD 36 68 ASN B 6 661 NAG B S FT #MOD 113 144 ASN B 7 671 NAG B S FT #MOD 379 410 ASN B 8 681 NAG B S FT DISORDER 553 587 CC SEQUENCE 552 AA (ATOM); CC ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI CC LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA CC LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK CC TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV CC EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT CC SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL CC PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS CC IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK CC PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN CC VKGCPFTSFN VQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ATOM ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ************************************************** CC SEQRES KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ATOM KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ************************************************** CC SEQRES VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ATOM VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ************************************************** CC SEQRES LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ATOM LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ************************************************** CC SEQRES HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ATOM HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ************************************************** CC SEQRES NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ATOM NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ************************************************** CC SEQRES SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ATOM SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ************************************************** CC SEQRES NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ATOM NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ************************************************** CC SEQRES GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ATOM GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ************************************************** CC SEQRES TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ATOM TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ************************************************** CC SEQRES KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ATOM KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ************************************************** CC SEQRES VQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL CC ATOM VQ----------------------------------- CC ** SQ SEQUENCE 587 AA; MW; CN; ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN VKGCPFTSFN VQDPQPTKTA TINASASHSR LDDINPTVLI KRRSTEL // ID 3PGHC STANDARD; PRT; 587 AA. DT CONVERTED FROM PDB (SEQRES) 3PGH DE CYCLOOXYGENASE-2 OS Mus musculus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.236 FT #SUB 14 46 GLU C 512 543 GLN D Protein S 1 FT #SUB 14 46 GLU C 515 546 LYS D Protein S 5 FT #SUB 14 46 GLU C 517 548 SER D Protein S 3 FT #SUB 16 48 MET C 289 320 HIS D Protein S 3 FT #SUB 16 48 MET C 517 548 SER D Protein S 4 FT #SUB 16 48 MET C 520 551 GLY D Protein S 6 FT #SUB 16 48 MET C 521 552 GLY D Protein S 3 FT #SUB 17 49 SER C 289 320 HIS D Protein B 5 FT #SUB 17 49 SER C 291 322 GLU D Protein A 6 FT #SUB 17 49 SER C 292 323 TRP D Protein S 2 FT #SUB 18 50 THR C 289 320 HIS D Protein B 1 FT #SUB 18 50 THR C 291 322 GLU D Protein B 1 FT #SUB 19 51 GLY C 291 322 GLU D Protein B 13 FT #SUB 20 52 PHE C 290 321 PRO D Protein S 2 FT #SUB 20 52 PHE C 291 322 GLU D Protein A 4 FT #SUB 26 58 ASP C 515 546 LYS D Protein S 4 FT #SUB 26 58 ASP C 516 547 PRO D Protein S 2 FT #SUB 26 58 ASP C 517 548 SER D Protein S 7 FT #SUB 28 60 THR C 515 546 LYS D Protein B 1 FT #SUB 29 61 ARG C 336 367 PHE D Protein S 3 FT #SUB 29 61 ARG C 511 542 PRO D Protein S 4 FT #SUB 29 61 ARG C 514 545 TRP D Protein S 4 FT #SUB 29 61 ARG C 515 546 LYS D Protein S 1 FT #SUB 95 126 SER C 512 543 GLN D Protein B 5 FT #SUB 96 127 PRO C 510 541 SER D Protein S 3 FT #SUB 96 127 PRO C 512 543 GLN D Protein A 11 FT #SUB 97 128 PRO C 513 544 TYR D Protein B 4 FT #SUB 98 129 THR C 513 544 TYR D Protein S 1 FT #SUB 103 134 TYR C 295 326 GLU D Protein S 4 FT #SUB 103 134 TYR C 299 330 GLN D Protein S 2 FT #SUB 105 136 TYR C 295 326 GLU D Protein S 3 FT #SUB 105 136 TYR C 296 327 GLN D Protein S 11 FT #SUB 105 136 TYR C 299 330 GLN D Protein S 2 FT #SUB 106 137 LYS C 512 543 GLN D Protein S 1 FT #SUB 106 137 LYS C 513 544 TYR D Protein A 5 FT #SUB 106 137 LYS C 518 549 THR D Protein S 6 FT #SUB 107 138 SER C 299 330 GLN D Protein S 3 FT #SUB 107 138 SER C 303 334 LEU D Protein B 1 FT #SUB 108 139 TRP C 198 229 ASP D Protein S 3 FT #SUB 108 139 TRP C 299 330 GLN D Protein B 1 FT #SUB 108 139 TRP C 302 333 LYS D Protein S 3 FT #SUB 108 139 TRP C 303 334 LEU D Protein A 2 FT #SUB 108 139 TRP C 306 337 ILE D Protein S 1 FT #SUB 108 139 TRP C 506 537 ASN D Protein S 1 FT #SUB 108 139 TRP C 507 538 PRO D Protein S 4 FT #SUB 109 140 GLU C 299 330 GLN D Protein A 4 FT #SUB 111 142 PHE C 507 538 PRO D Protein S 9 FT #SUB 111 142 PHE C 513 544 TYR D Protein S 3 FT #SUB 198 229 ASP C 108 139 TRP D Protein A 4 FT #SUB 289 320 HIS C 16 48 MET D Protein S 2 FT #SUB 289 320 HIS C 17 49 SER D Protein S 5 FT #SUB 289 320 HIS C 18 50 THR D Protein S 1 FT #SUB 290 321 PRO C 20 52 PHE D Protein A 2 FT #SUB 291 322 GLU C 17 49 SER D Protein S 6 FT #SUB 291 322 GLU C 18 50 THR D Protein S 1 FT #SUB 291 322 GLU C 19 51 GLY D Protein S 13 FT #SUB 291 322 GLU C 20 52 PHE D Protein A 5 FT #SUB 292 323 TRP C 16 48 MET D Protein S 1 FT #SUB 292 323 TRP C 17 49 SER D Protein S 1 FT #SUB 295 326 GLU C 103 134 TYR D Protein S 4 FT #SUB 295 326 GLU C 105 136 TYR D Protein A 3 FT #SUB 296 327 GLN C 105 136 TYR D Protein A 13 FT #SUB 299 330 GLN C 103 134 TYR D Protein S 1 FT #SUB 299 330 GLN C 105 136 TYR D Protein S 2 FT #SUB 299 330 GLN C 107 138 SER D Protein S 3 FT #SUB 299 330 GLN C 108 139 TRP D Protein S 1 FT #SUB 299 330 GLN C 109 140 GLU D Protein S 4 FT #SUB 302 333 LYS C 108 139 TRP D Protein S 2 FT #SUB 303 334 LEU C 107 138 SER D Protein S 1 FT #SUB 303 334 LEU C 108 139 TRP D Protein S 2 FT #SUB 306 337 ILE C 108 139 TRP D Protein S 1 FT #SUB 336 367 PHE C 29 61 ARG D Protein S 3 FT #SUB 336 367 PHE C 339 370 GLN D Protein B 4 FT #SUB 337 368 ASN C 339 370 GLN D Protein B 3 FT #SUB 338 369 GLN C 339 370 GLN D Protein B 6 FT #SUB 339 370 GLN C 336 367 PHE D Protein S 4 FT #SUB 339 370 GLN C 337 368 ASN D Protein S 4 FT #SUB 339 370 GLN C 338 369 GLN D Protein S 4 FT #SUB 340 371 PHE C 341 372 GLN D Protein B 3 FT #SUB 341 372 GLN C 340 371 PHE D Protein S 3 FT #SUB 341 372 GLN C 341 372 GLN D Protein A 12 FT #SUB 341 372 GLN C 342 373 TYR D Protein S 4 FT #SUB 342 373 TYR C 341 372 GLN D Protein A 4 FT #SUB 342 373 TYR C 343 374 GLN D Protein B 2 FT #SUB 343 374 GLN C 342 373 TYR D Protein S 2 FT #SUB 343 374 GLN C 343 374 GLN D Protein S 1 FT #SUB 506 537 ASN C 108 139 TRP D Protein S 1 FT #SUB 507 538 PRO C 108 139 TRP D Protein S 3 FT #SUB 507 538 PRO C 111 142 PHE D Protein S 9 FT #SUB 510 541 SER C 96 127 PRO D Protein S 3 FT #SUB 511 542 PRO C 29 61 ARG D Protein B 4 FT #SUB 512 543 GLN C 14 46 GLU D Protein B 1 FT #SUB 512 543 GLN C 95 126 SER D Protein S 8 FT #SUB 512 543 GLN C 96 127 PRO D Protein S 11 FT #SUB 512 543 GLN C 106 137 LYS D Protein B 1 FT #SUB 513 544 TYR C 97 128 PRO D Protein S 3 FT #SUB 513 544 TYR C 98 129 THR D Protein S 1 FT #SUB 513 544 TYR C 106 137 LYS D Protein S 5 FT #SUB 513 544 TYR C 111 142 PHE D Protein S 4 FT #SUB 514 545 TRP C 29 61 ARG D Protein B 3 FT #SUB 515 546 LYS C 14 46 GLU D Protein S 5 FT #SUB 515 546 LYS C 26 58 ASP D Protein A 4 FT #SUB 515 546 LYS C 28 60 THR D Protein S 1 FT #SUB 515 546 LYS C 29 61 ARG D Protein S 1 FT #SUB 516 547 PRO C 26 58 ASP D Protein A 2 FT #SUB 517 548 SER C 14 46 GLU D Protein S 3 FT #SUB 517 548 SER C 16 48 MET D Protein A 4 FT #SUB 517 548 SER C 26 58 ASP D Protein A 7 FT #SUB 518 549 THR C 106 137 LYS D Protein A 6 FT #SUB 520 551 GLY C 16 48 MET D Protein B 6 FT #SUB 521 552 GLY C 16 48 MET D Protein B 3 FT #HET 8 40 PRO C 11 661 NAG C S 1 FT #HET 23 55 TYR C 11 661 NAG C S 3 FT #HET 35 67 GLU C 11 661 NAG C S 8 FT #HET 38 70 THR C 11 661 NAG C S 1 FT #HET 85 116 VAL C 15 701 FLP C S 1 FT #HET 89 120 ARG C 15 701 FLP C S 5 FT #HET 109 140 GLU C 12 671 NAG C S 3 FT #HET 116 147 TYR C 12 671 NAG C S 6 FT #HET 117 148 TYR C 14 682 HEM C S 1 FT #HET 168 199 ALA C 14 682 HEM C B 1 FT #HET 171 202 ALA C 14 682 HEM C B 1 FT #HET 172 203 GLN C 14 682 HEM C S 17 FT #HET 175 206 THR C 14 682 HEM C S 1 FT #HET 176 207 HIS C 14 682 HEM C S 5 FT #HET 179 210 PHE C 14 682 HEM C S 2 FT #HET 180 211 LYS C 14 682 HEM C B 1 FT #HET 181 212 THR C 14 682 HEM C A 8 FT #HET 183 214 HIS C 14 682 HEM C S 1 FT #HET 185 216 ARG C 12 671 NAG C S 1 FT #HET 207 238 LEU C 17 671 NAG D A 4 FT #HET 264 295 VAL C 14 682 HEM C S 1 FT #HET 318 349 VAL C 15 701 FLP C S 6 FT #HET 321 352 LEU C 15 701 FLP C S 1 FT #HET 324 355 TYR C 15 701 FLP C S 5 FT #HET 328 359 LEU C 15 701 FLP C S 1 FT #HET 351 382 ASN C 14 682 HEM C A 8 FT #HET 354 385 TYR C 14 682 HEM C A 5 FT #HET 354 385 TYR C 15 701 FLP C S 7 FT #HET 355 386 HIS C 14 682 HEM C S 12 FT #HET 356 387 TRP C 14 682 HEM C S 1 FT #HET 356 387 TRP C 15 701 FLP C S 3 FT #HET 357 388 HIS C 14 682 HEM C S 27 FT #HET 360 391 LEU C 14 682 HEM C S 5 FT #HET 371 402 TYR C 13 681 NAG C S 3 FT #HET 375 406 GLN C 13 681 NAG C A 5 FT #HET 382 413 ILE C 13 681 NAG C A 4 FT #HET 416 447 VAL C 14 682 HEM C S 8 FT #HET 423 454 GLN C 14 682 HEM C S 3 FT #HET 491 522 MET C 15 701 FLP C B 1 FT #HET 492 523 VAL C 15 701 FLP C A 3 FT #HET 495 526 GLY C 15 701 FLP C B 7 FT #HET 496 527 ALA C 15 701 FLP C A 6 FT #HET 499 530 SER C 15 701 FLP C S 4 FT #HET 500 531 LEU C 15 701 FLP C S 1 FT #MOD 36 68 ASN C 11 661 NAG C S FT #MOD 113 144 ASN C 12 671 NAG C S FT #MOD 379 410 ASN C 13 681 NAG C S FT DISORDER 553 587 CC SEQUENCE 552 AA (ATOM); CC ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI CC LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA CC LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK CC TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV CC EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT CC SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL CC PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS CC IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK CC PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN CC VKGCPFTSFN VQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ATOM ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ************************************************** CC SEQRES KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ATOM KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ************************************************** CC SEQRES VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ATOM VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ************************************************** CC SEQRES LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ATOM LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ************************************************** CC SEQRES HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ATOM HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ************************************************** CC SEQRES NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ATOM NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ************************************************** CC SEQRES SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ATOM SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ************************************************** CC SEQRES NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ATOM NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ************************************************** CC SEQRES GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ATOM GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ************************************************** CC SEQRES TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ATOM TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ************************************************** CC SEQRES KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ATOM KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ************************************************** CC SEQRES VQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL CC ATOM VQ----------------------------------- CC ** SQ SEQUENCE 587 AA; MW; CN; ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN VKGCPFTSFN VQDPQPTKTA TINASASHSR LDDINPTVLI KRRSTEL // ID 3PGHD STANDARD; PRT; 587 AA. DT CONVERTED FROM PDB (SEQRES) 3PGH DE CYCLOOXYGENASE-2 OS Mus musculus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.236 FT #SUB 223 254 TYR D 544 575 CYS A Protein B 2 FT #SUB 224 255 GLN D 543 574 GLY A Protein A 3 FT #SUB 224 255 GLN D 544 575 CYS A Protein A 3 FT #SUB 225 256 VAL D 543 574 GLY A Protein A 5 FT #SUB 236 267 LYS D 534 565 GLN A Protein S 2 FT #SUB 236 267 LYS D 546 577 PHE A Protein S 4 FT #SUB 236 267 LYS D 547 578 THR A Protein S 3 FT #SUB 237 268 ASP D 534 565 GLN A Protein A 7 FT #SUB 237 268 ASP D 535 566 SER A Protein S 2 FT #SUB 237 268 ASP D 538 569 CYS A Protein S 4 FT #SUB 250 281 GLU D 546 577 PHE A Protein S 2 FT #SUB 251 282 ASN D 546 577 PHE A Protein S 2 FT #SUB 14 46 GLU D 512 543 GLN C Protein S 1 FT #SUB 14 46 GLU D 515 546 LYS C Protein S 5 FT #SUB 14 46 GLU D 517 548 SER C Protein S 3 FT #SUB 16 48 MET D 289 320 HIS C Protein S 2 FT #SUB 16 48 MET D 292 323 TRP C Protein S 1 FT #SUB 16 48 MET D 517 548 SER C Protein S 4 FT #SUB 16 48 MET D 520 551 GLY C Protein S 6 FT #SUB 16 48 MET D 521 552 GLY C Protein S 3 FT #SUB 17 49 SER D 289 320 HIS C Protein B 5 FT #SUB 17 49 SER D 291 322 GLU C Protein A 6 FT #SUB 17 49 SER D 292 323 TRP C Protein S 1 FT #SUB 18 50 THR D 289 320 HIS C Protein B 1 FT #SUB 18 50 THR D 291 322 GLU C Protein B 1 FT #SUB 19 51 GLY D 291 322 GLU C Protein B 13 FT #SUB 20 52 PHE D 290 321 PRO C Protein S 2 FT #SUB 20 52 PHE D 291 322 GLU C Protein A 5 FT #SUB 26 58 ASP D 515 546 LYS C Protein S 4 FT #SUB 26 58 ASP D 516 547 PRO C Protein S 2 FT #SUB 26 58 ASP D 517 548 SER C Protein S 7 FT #SUB 28 60 THR D 515 546 LYS C Protein B 1 FT #SUB 29 61 ARG D 336 367 PHE C Protein S 3 FT #SUB 29 61 ARG D 511 542 PRO C Protein S 4 FT #SUB 29 61 ARG D 514 545 TRP C Protein S 3 FT #SUB 29 61 ARG D 515 546 LYS C Protein S 1 FT #SUB 95 126 SER D 512 543 GLN C Protein B 8 FT #SUB 96 127 PRO D 510 541 SER C Protein S 3 FT #SUB 96 127 PRO D 512 543 GLN C Protein A 11 FT #SUB 97 128 PRO D 513 544 TYR C Protein B 3 FT #SUB 98 129 THR D 513 544 TYR C Protein S 1 FT #SUB 103 134 TYR D 295 326 GLU C Protein S 4 FT #SUB 103 134 TYR D 299 330 GLN C Protein S 1 FT #SUB 105 136 TYR D 295 326 GLU C Protein S 3 FT #SUB 105 136 TYR D 296 327 GLN C Protein S 13 FT #SUB 105 136 TYR D 299 330 GLN C Protein S 2 FT #SUB 106 137 LYS D 512 543 GLN C Protein S 1 FT #SUB 106 137 LYS D 513 544 TYR C Protein A 5 FT #SUB 106 137 LYS D 518 549 THR C Protein S 6 FT #SUB 107 138 SER D 299 330 GLN C Protein S 3 FT #SUB 107 138 SER D 303 334 LEU C Protein B 1 FT #SUB 108 139 TRP D 198 229 ASP C Protein S 4 FT #SUB 108 139 TRP D 299 330 GLN C Protein B 1 FT #SUB 108 139 TRP D 302 333 LYS C Protein S 2 FT #SUB 108 139 TRP D 303 334 LEU C Protein A 2 FT #SUB 108 139 TRP D 306 337 ILE C Protein S 1 FT #SUB 108 139 TRP D 506 537 ASN C Protein S 1 FT #SUB 108 139 TRP D 507 538 PRO C Protein S 3 FT #SUB 109 140 GLU D 299 330 GLN C Protein A 4 FT #SUB 111 142 PHE D 507 538 PRO C Protein S 9 FT #SUB 111 142 PHE D 513 544 TYR C Protein A 4 FT #SUB 198 229 ASP D 108 139 TRP C Protein S 3 FT #SUB 289 320 HIS D 16 48 MET C Protein S 3 FT #SUB 289 320 HIS D 17 49 SER C Protein S 5 FT #SUB 289 320 HIS D 18 50 THR C Protein S 1 FT #SUB 290 321 PRO D 20 52 PHE C Protein A 2 FT #SUB 291 322 GLU D 17 49 SER C Protein S 6 FT #SUB 291 322 GLU D 18 50 THR C Protein S 1 FT #SUB 291 322 GLU D 19 51 GLY C Protein S 13 FT #SUB 291 322 GLU D 20 52 PHE C Protein A 4 FT #SUB 292 323 TRP D 17 49 SER C Protein S 2 FT #SUB 295 326 GLU D 103 134 TYR C Protein S 4 FT #SUB 295 326 GLU D 105 136 TYR C Protein A 3 FT #SUB 296 327 GLN D 105 136 TYR C Protein A 11 FT #SUB 299 330 GLN D 103 134 TYR C Protein S 2 FT #SUB 299 330 GLN D 105 136 TYR C Protein S 2 FT #SUB 299 330 GLN D 107 138 SER C Protein S 3 FT #SUB 299 330 GLN D 108 139 TRP C Protein S 1 FT #SUB 299 330 GLN D 109 140 GLU C Protein S 4 FT #SUB 302 333 LYS D 108 139 TRP C Protein S 3 FT #SUB 303 334 LEU D 107 138 SER C Protein S 1 FT #SUB 303 334 LEU D 108 139 TRP C Protein S 2 FT #SUB 306 337 ILE D 108 139 TRP C Protein S 1 FT #SUB 336 367 PHE D 29 61 ARG C Protein S 3 FT #SUB 336 367 PHE D 339 370 GLN C Protein B 4 FT #SUB 337 368 ASN D 339 370 GLN C Protein B 4 FT #SUB 338 369 GLN D 339 370 GLN C Protein B 4 FT #SUB 339 370 GLN D 336 367 PHE C Protein S 4 FT #SUB 339 370 GLN D 337 368 ASN C Protein S 3 FT #SUB 339 370 GLN D 338 369 GLN C Protein S 6 FT #SUB 340 371 PHE D 341 372 GLN C Protein B 3 FT #SUB 341 372 GLN D 340 371 PHE C Protein S 3 FT #SUB 341 372 GLN D 341 372 GLN C Protein A 12 FT #SUB 341 372 GLN D 342 373 TYR C Protein S 4 FT #SUB 342 373 TYR D 341 372 GLN C Protein A 4 FT #SUB 342 373 TYR D 343 374 GLN C Protein B 2 FT #SUB 343 374 GLN D 342 373 TYR C Protein S 2 FT #SUB 343 374 GLN D 343 374 GLN C Protein S 1 FT #SUB 506 537 ASN D 108 139 TRP C Protein S 1 FT #SUB 507 538 PRO D 108 139 TRP C Protein S 4 FT #SUB 507 538 PRO D 111 142 PHE C Protein S 9 FT #SUB 510 541 SER D 96 127 PRO C Protein S 3 FT #SUB 511 542 PRO D 29 61 ARG C Protein B 4 FT #SUB 512 543 GLN D 14 46 GLU C Protein B 1 FT #SUB 512 543 GLN D 95 126 SER C Protein S 5 FT #SUB 512 543 GLN D 96 127 PRO C Protein S 11 FT #SUB 512 543 GLN D 106 137 LYS C Protein B 1 FT #SUB 513 544 TYR D 97 128 PRO C Protein S 4 FT #SUB 513 544 TYR D 98 129 THR C Protein S 1 FT #SUB 513 544 TYR D 106 137 LYS C Protein S 5 FT #SUB 513 544 TYR D 111 142 PHE C Protein S 3 FT #SUB 514 545 TRP D 29 61 ARG C Protein B 4 FT #SUB 515 546 LYS D 14 46 GLU C Protein S 5 FT #SUB 515 546 LYS D 26 58 ASP C Protein A 4 FT #SUB 515 546 LYS D 28 60 THR C Protein S 1 FT #SUB 515 546 LYS D 29 61 ARG C Protein S 1 FT #SUB 516 547 PRO D 26 58 ASP C Protein A 2 FT #SUB 517 548 SER D 14 46 GLU C Protein S 3 FT #SUB 517 548 SER D 16 48 MET C Protein A 4 FT #SUB 517 548 SER D 26 58 ASP C Protein A 7 FT #SUB 518 549 THR D 106 137 LYS C Protein A 6 FT #SUB 520 551 GLY D 16 48 MET C Protein B 6 FT #SUB 521 552 GLY D 16 48 MET C Protein B 3 FT #HET 6 38 SER D 16 661 NAG D S 1 FT #HET 8 40 PRO D 16 661 NAG D S 3 FT #HET 23 55 TYR D 16 661 NAG D S 7 FT #HET 35 67 GLU D 16 661 NAG D S 9 FT #HET 89 120 ARG D 20 701 FLP D S 7 FT #HET 109 140 GLU D 17 671 NAG D S 4 FT #HET 116 147 TYR D 17 671 NAG D S 6 FT #HET 117 148 TYR D 19 682 HEM D S 1 FT #HET 168 199 ALA D 19 682 HEM D B 2 FT #HET 171 202 ALA D 19 682 HEM D A 3 FT #HET 172 203 GLN D 19 682 HEM D A 26 FT #HET 175 206 THR D 19 682 HEM D S 1 FT #HET 176 207 HIS D 19 682 HEM D S 7 FT #HET 179 210 PHE D 19 682 HEM D A 5 FT #HET 180 211 LYS D 19 682 HEM D B 1 FT #HET 181 212 THR D 19 682 HEM D A 8 FT #HET 185 216 ARG D 17 671 NAG D S 1 FT #HET 207 238 LEU D 12 671 NAG C A 5 FT #HET 264 295 VAL D 19 682 HEM D S 1 FT #HET 318 349 VAL D 20 701 FLP D S 3 FT #HET 321 352 LEU D 20 701 FLP D S 1 FT #HET 324 355 TYR D 20 701 FLP D S 5 FT #HET 328 359 LEU D 20 701 FLP D S 1 FT #HET 351 382 ASN D 19 682 HEM D A 8 FT #HET 354 385 TYR D 19 682 HEM D B 5 FT #HET 354 385 TYR D 20 701 FLP D S 4 FT #HET 355 386 HIS D 19 682 HEM D S 7 FT #HET 356 387 TRP D 20 701 FLP D S 2 FT #HET 357 388 HIS D 19 682 HEM D S 26 FT #HET 360 391 LEU D 19 682 HEM D S 3 FT #HET 371 402 TYR D 18 681 NAG D S 3 FT #HET 375 406 GLN D 18 681 NAG D A 8 FT #HET 382 413 ILE D 18 681 NAG D A 5 FT #HET 416 447 VAL D 19 682 HEM D S 12 FT #HET 419 450 ALA D 19 682 HEM D S 3 FT #HET 423 454 GLN D 19 682 HEM D S 3 FT #HET 491 522 MET D 20 701 FLP D B 2 FT #HET 492 523 VAL D 20 701 FLP D A 4 FT #HET 495 526 GLY D 20 701 FLP D B 7 FT #HET 496 527 ALA D 20 701 FLP D A 12 FT #HET 499 530 SER D 20 701 FLP D S 2 FT #HET 500 531 LEU D 20 701 FLP D S 1 FT #MOD 36 68 ASN D 16 661 NAG D S FT #MOD 113 144 ASN D 17 671 NAG D S FT #MOD 379 410 ASN D 18 681 NAG D S FT DISORDER 553 587 CC SEQUENCE 552 AA (ATOM); CC ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI CC LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA CC LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK CC TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV CC EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT CC SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL CC PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS CC IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK CC PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN CC VKGCPFTSFN VQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ATOM ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLL CC ************************************************** CC SEQRES KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ATOM KPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYN CC ************************************************** CC SEQRES VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ATOM VHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKV CC ************************************************** CC SEQRES LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ATOM LLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLN CC ************************************************** CC SEQRES HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ATOM HIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPE CC ************************************************** CC SEQRES NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ATOM NLQFAVGQEVFGLVPGLMMYATIWLREHQRVCDILKQEHPEWGDEQLFQT CC ************************************************** CC SEQRES SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ATOM SKLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEF CC ************************************************** CC SEQRES NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ATOM NTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIA CC ************************************************** CC SEQRES GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ATOM GRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEEL CC ************************************************** CC SEQRES TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ATOM TGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSL CC ************************************************** CC SEQRES KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ATOM KGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFN CC ************************************************** CC SEQRES VQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL CC ATOM VQ----------------------------------- CC ** SQ SEQUENCE 587 AA; MW; CN; ANPCCSNPCQ NRGECMSTGF DQYKCDCTRT GFYGENCTTP EFLTRIKLLL KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN VHYGYKSWEA FSNLSYYTRA LPPVADDCPT PMGVKGNKEL PDSKEVLEKV LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE NLQFAVGQEV FGLVPGLMMY ATIWLREHQR VCDILKQEHP EWGDEQLFQT SKLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLICNN VKGCPFTSFN VQDPQPTKTA TINASASHSR LDDINPTVLI KRRSTEL //