ID 4EJHA STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 103 125 LYS A 255 277 GLU C Protein S 1 FT #SUB 107 129 ARG A 251 273 ILE C Protein S 2 FT #SUB 107 129 ARG A 255 277 GLU C Protein S 5 FT #SUB 111 133 ALA A 115 137 GLY C Protein B 3 FT #SUB 114 136 ARG A 241 263 SER C Protein S 1 FT #SUB 114 136 ARG A 242 264 PRO C Protein S 1 FT #SUB 115 137 GLY A 115 137 GLY C Protein B 2 FT #SUB 115 137 GLY A 116 138 PHE C Protein B 2 FT #SUB 115 137 GLY A 117 139 GLY C Protein B 4 FT #SUB 115 137 GLY A 120 142 LYS C Protein B 1 FT #SUB 115 137 GLY A 122 144 GLY C Protein B 2 FT #SUB 116 138 PHE A 120 142 LYS C Protein S 5 FT #SUB 116 138 PHE A 121 143 ARG C Protein B 2 FT #SUB 116 138 PHE A 122 144 GLY C Protein B 1 FT #SUB 117 139 GLY A 122 144 GLY C Protein B 2 FT #SUB 120 142 LYS A 116 138 PHE C Protein S 1 FT #SUB 120 142 LYS A 122 144 GLY C Protein S 6 FT #SUB 121 143 ARG A 125 147 GLU C Protein S 9 FT #SUB 121 143 ARG A 129 151 GLU C Protein S 6 FT #SUB 122 144 GLY A 121 143 ARG C Protein B 6 FT #SUB 125 147 GLU A 121 143 ARG C Protein S 3 FT #SUB 239 261 PRO A 114 136 ARG C Protein B 1 FT #SUB 242 264 PRO A 120 142 LYS C Protein S 2 FT #SUB 248 270 SER A 120 142 LYS C Protein S 3 FT #SUB 251 273 ILE A 114 136 ARG C Protein S 4 FT #SUB 255 277 GLU A 111 133 ALA C Protein S 1 FT #SUB 255 277 GLU A 114 136 ARG C Protein S 5 FT #SUB 414 436 LYS A 240 262 ASN C Protein S 6 FT #SUB 38 60 LYS A 381 403 ARG D Protein S 3 FT #SUB 41 63 GLU A 45 67 PRO D Protein B 3 FT #SUB 41 63 GLU A 381 403 ARG D Protein S 3 FT #SUB 42 64 ARG A 45 67 PRO D Protein B 2 FT #SUB 42 64 ARG A 359 381 ARG D Protein A 13 FT #SUB 44 66 GLY A 44 66 GLY D Protein B 1 FT #SUB 45 67 PRO A 41 63 GLU D Protein S 3 FT #SUB 45 67 PRO A 42 64 ARG D Protein S 3 FT #SUB 67 89 GLU A 42 64 ARG D Protein S 5 FT #SUB 359 381 ARG A 42 64 ARG D Protein S 5 FT #SUB 381 403 ARG A 41 63 GLU D Protein S 2 FT #SUB 385 407 ASN A 385 407 ASN D Protein S 1 FT #SUB 387 409 ARG A 380 402 PRO D Protein S 2 FT #SUB 19 41 PRO A 25 47 LEU E Protein A 3 FT #SUB 21 43 ILE A 25 47 LEU E Protein S 2 FT #SUB 25 47 LEU A 18 40 LEU E Protein S 1 FT #HET 79 101 ARG A 1 501 HEM A S 9 FT #HET 85 107 PHE A 2 502 0QA A S 7 FT #HET 89 111 PHE A 2 502 0QA A S 3 FT #HET 94 116 VAL A 1 501 HEM A A 2 FT #HET 95 117 ALA A 1 501 HEM A A 5 FT #HET 95 117 ALA A 2 502 0QA A S 1 FT #HET 96 118 PHE A 2 502 0QA A S 7 FT #HET 106 128 ARG A 1 501 HEM A S 5 FT #HET 275 297 ASN A 2 502 0QA A A 12 FT #HET 276 298 LEU A 1 501 HEM A S 1 FT #HET 278 300 PHE A 2 502 0QA A S 4 FT #HET 279 301 ALA A 1 501 HEM A A 5 FT #HET 279 301 ALA A 2 502 0QA A A 5 FT #HET 280 302 GLY A 1 501 HEM A B 5 FT #HET 283 305 THR A 1 501 HEM A S 11 FT #HET 283 305 THR A 2 502 0QA A S 4 FT #HET 284 306 VAL A 1 501 HEM A A 2 FT #HET 338 360 GLN A 1 501 HEM A S 1 FT #HET 344 366 LEU A 1 501 HEM A S 2 FT #HET 348 370 LEU A 1 501 HEM A S 2 FT #HET 348 370 LEU A 2 502 0QA A S 1 FT #HET 350 372 HIS A 1 501 HEM A S 5 FT #HET 373 395 LEU A 1 501 HEM A S 1 FT #HET 409 431 PRO A 1 501 HEM A B 3 FT #HET 410 432 PHE A 1 501 HEM A A 8 FT #HET 411 433 SER A 1 501 HEM A A 8 FT #HET 415 437 ARG A 1 501 HEM A A 16 FT #HET 417 439 CYS A 1 501 HEM A A 20 FT #HET 418 440 PHE A 1 501 HEM A S 2 FT #HET 419 441 GLY A 1 501 HEM A B 5 FT #HET 423 445 ALA A 1 501 HEM A S 1 FT #HET 458 480 PHE A 2 502 0QA A S 3 FT DISORDER 1 8 FT DISORDER 473 476 CC SEQUENCE 464 AA (ATOM); CC GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV LCGHDAVKEA CC LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF SIATLRGFGV GKRGIEERIQ CC EEAGFLIDAL RGTHGANIDP TFFLSRTVSN VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ CC FTATSTGQLY EMFSSVMKHL PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS CC FLIRMQEEEK NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE CC IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF RDFFLPKGTE CC VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV PFSIGKRYCF GEGLARMELF CC LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF ATIPRNYTMS FLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM --------GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ****************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHB STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 103 125 LYS B 256 278 GLU D Protein S 1 FT #SUB 107 129 ARG B 252 274 ARG D Protein S 12 FT #SUB 107 129 ARG B 255 277 GLU D Protein S 1 FT #SUB 111 133 ALA B 115 137 GLY D Protein A 3 FT #SUB 114 136 ARG B 115 137 GLY D Protein A 2 FT #SUB 114 136 ARG B 240 262 ASN D Protein S 2 FT #SUB 114 136 ARG B 242 264 PRO D Protein S 3 FT #SUB 115 137 GLY B 114 136 ARG D Protein B 1 FT #SUB 115 137 GLY B 115 137 GLY D Protein B 2 FT #SUB 115 137 GLY B 117 139 GLY D Protein B 1 FT #SUB 115 137 GLY B 120 142 LYS D Protein B 3 FT #SUB 120 142 LYS B 116 138 PHE D Protein S 1 FT #SUB 121 143 ARG B 125 147 GLU D Protein S 4 FT #SUB 251 273 ILE B 114 136 ARG D Protein S 1 FT #SUB 252 274 ARG B 107 129 ARG D Protein S 2 FT #SUB 255 277 GLU B 114 136 ARG D Protein S 8 FT #SUB 256 278 GLU B 107 129 ARG D Protein S 2 FT #SUB 416 438 TYR B 240 262 ASN D Protein S 1 FT #SUB 19 41 PRO B 207 229 HIS G Protein S 1 FT #SUB 20 42 PHE B 203 225 SER G Protein S 1 FT #SUB 20 42 PHE B 204 226 VAL G Protein S 1 FT #SUB 20 42 PHE B 207 229 HIS G Protein A 4 FT #SUB 53 75 PRO B 207 229 HIS G Protein S 5 FT #SUB 204 226 VAL B 20 42 PHE G Protein S 2 FT #SUB 204 226 VAL B 204 226 VAL G Protein S 1 FT #SUB 207 229 HIS B 19 41 PRO G Protein B 3 FT #SUB 207 229 HIS B 20 42 PHE G Protein B 1 FT #SUB 207 229 HIS B 53 75 PRO G Protein S 7 FT #SUB 208 230 LEU B 19 41 PRO G Protein S 1 FT #SUB 208 230 LEU B 20 42 PHE G Protein S 1 FT #SUB 209 231 PRO B 19 41 PRO G Protein S 2 FT #SUB 261 283 ASN B 261 283 ASN G Protein S 5 FT #HET 79 101 ARG B 3 501 HEM B S 5 FT #HET 85 107 PHE B 4 502 0QA B S 4 FT #HET 89 111 PHE B 4 502 0QA B S 3 FT #HET 94 116 VAL B 3 501 HEM B A 2 FT #HET 95 117 ALA B 3 501 HEM B A 5 FT #HET 95 117 ALA B 4 502 0QA B S 1 FT #HET 96 118 PHE B 4 502 0QA B S 6 FT #HET 106 128 ARG B 3 501 HEM B S 5 FT #HET 275 297 ASN B 4 502 0QA B A 10 FT #HET 278 300 PHE B 4 502 0QA B S 7 FT #HET 279 301 ALA B 3 501 HEM B A 6 FT #HET 279 301 ALA B 4 502 0QA B A 7 FT #HET 280 302 GLY B 3 501 HEM B B 5 FT #HET 283 305 THR B 3 501 HEM B A 11 FT #HET 283 305 THR B 4 502 0QA B S 6 FT #HET 284 306 VAL B 3 501 HEM B A 2 FT #HET 287 309 THR B 3 501 HEM B S 1 FT #HET 344 366 LEU B 4 502 0QA B S 1 FT #HET 348 370 LEU B 3 501 HEM B S 2 FT #HET 350 372 HIS B 3 501 HEM B S 6 FT #HET 373 395 LEU B 3 501 HEM B S 1 FT #HET 409 431 PRO B 3 501 HEM B B 3 FT #HET 410 432 PHE B 3 501 HEM B A 12 FT #HET 411 433 SER B 3 501 HEM B A 8 FT #HET 415 437 ARG B 3 501 HEM B A 20 FT #HET 417 439 CYS B 3 501 HEM B S 19 FT #HET 418 440 PHE B 3 501 HEM B S 2 FT #HET 419 441 GLY B 3 501 HEM B B 4 FT #HET 423 445 ALA B 3 501 HEM B S 1 FT #HET 458 480 PHE B 4 502 0QA B S 3 FT DISORDER 1 8 FT DISORDER 473 476 CC SEQUENCE 464 AA (ATOM); CC GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV LCGHDAVKEA CC LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF SIATLRGFGV GKRGIEERIQ CC EEAGFLIDAL RGTHGANIDP TFFLSRTVSN VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ CC FTATSTGQLY EMFSSVMKHL PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS CC FLIRMQEEEK NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE CC IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF RDFFLPKGTE CC VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV PFSIGKRYCF GEGLARMELF CC LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF ATIPRNYTMS FLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM --------GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ****************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHC STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 111 133 ALA C 255 277 GLU A Protein S 1 FT #SUB 114 136 ARG C 239 261 PRO A Protein S 1 FT #SUB 114 136 ARG C 251 273 ILE A Protein S 4 FT #SUB 114 136 ARG C 255 277 GLU A Protein S 5 FT #SUB 115 137 GLY C 111 133 ALA A Protein B 3 FT #SUB 115 137 GLY C 115 137 GLY A Protein B 2 FT #SUB 116 138 PHE C 115 137 GLY A Protein B 2 FT #SUB 116 138 PHE C 120 142 LYS A Protein B 1 FT #SUB 117 139 GLY C 115 137 GLY A Protein B 4 FT #SUB 120 142 LYS C 115 137 GLY A Protein S 1 FT #SUB 120 142 LYS C 116 138 PHE A Protein S 5 FT #SUB 120 142 LYS C 242 264 PRO A Protein S 2 FT #SUB 120 142 LYS C 248 270 SER A Protein S 3 FT #SUB 121 143 ARG C 116 138 PHE A Protein S 2 FT #SUB 121 143 ARG C 122 144 GLY A Protein S 6 FT #SUB 121 143 ARG C 125 147 GLU A Protein S 3 FT #SUB 122 144 GLY C 115 137 GLY A Protein B 2 FT #SUB 122 144 GLY C 116 138 PHE A Protein B 1 FT #SUB 122 144 GLY C 117 139 GLY A Protein B 2 FT #SUB 122 144 GLY C 120 142 LYS A Protein B 6 FT #SUB 125 147 GLU C 121 143 ARG A Protein S 9 FT #SUB 129 151 GLU C 121 143 ARG A Protein S 6 FT #SUB 240 262 ASN C 414 436 LYS A Protein S 6 FT #SUB 241 263 SER C 114 136 ARG A Protein S 1 FT #SUB 242 264 PRO C 114 136 ARG A Protein B 1 FT #SUB 251 273 ILE C 107 129 ARG A Protein S 2 FT #SUB 255 277 GLU C 103 125 LYS A Protein S 1 FT #SUB 255 277 GLU C 107 129 ARG A Protein S 5 FT #HET 79 101 ARG C 5 501 HEM C S 9 FT #HET 85 107 PHE C 6 502 0QA C S 6 FT #HET 89 111 PHE C 6 502 0QA C S 3 FT #HET 94 116 VAL C 5 501 HEM C A 2 FT #HET 95 117 ALA C 5 501 HEM C A 4 FT #HET 96 118 PHE C 6 502 0QA C S 5 FT #HET 106 128 ARG C 5 501 HEM C S 5 FT #HET 275 297 ASN C 6 502 0QA C A 6 FT #HET 276 298 LEU C 5 501 HEM C S 1 FT #HET 278 300 PHE C 6 502 0QA C S 7 FT #HET 279 301 ALA C 5 501 HEM C A 10 FT #HET 279 301 ALA C 6 502 0QA C S 4 FT #HET 280 302 GLY C 5 501 HEM C B 5 FT #HET 283 305 THR C 5 501 HEM C A 8 FT #HET 283 305 THR C 6 502 0QA C S 4 FT #HET 284 306 VAL C 5 501 HEM C S 1 FT #HET 287 309 THR C 5 501 HEM C S 1 FT #HET 338 360 GLN C 5 501 HEM C S 1 FT #HET 344 366 LEU C 6 502 0QA C S 2 FT #HET 348 370 LEU C 5 501 HEM C S 1 FT #HET 350 372 HIS C 5 501 HEM C S 7 FT #HET 373 395 LEU C 5 501 HEM C S 1 FT #HET 409 431 PRO C 5 501 HEM C B 3 FT #HET 410 432 PHE C 5 501 HEM C A 12 FT #HET 411 433 SER C 5 501 HEM C A 7 FT #HET 415 437 ARG C 5 501 HEM C A 17 FT #HET 417 439 CYS C 5 501 HEM C S 17 FT #HET 418 440 PHE C 5 501 HEM C S 2 FT #HET 419 441 GLY C 5 501 HEM C B 5 FT #HET 423 445 ALA C 5 501 HEM C S 1 FT #HET 458 480 PHE C 6 502 0QA C S 4 FT DISORDER 1 8 FT DISORDER 473 476 CC SEQUENCE 464 AA (ATOM); CC GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV LCGHDAVKEA CC LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF SIATLRGFGV GKRGIEERIQ CC EEAGFLIDAL RGTHGANIDP TFFLSRTVSN VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ CC FTATSTGQLY EMFSSVMKHL PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS CC FLIRMQEEEK NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE CC IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF RDFFLPKGTE CC VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV PFSIGKRYCF GEGLARMELF CC LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF ATIPRNYTMS FLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM --------GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ****************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHD STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 41 63 GLU D 45 67 PRO A Protein B 3 FT #SUB 41 63 GLU D 381 403 ARG A Protein S 2 FT #SUB 42 64 ARG D 45 67 PRO A Protein B 3 FT #SUB 42 64 ARG D 67 89 GLU A Protein S 5 FT #SUB 42 64 ARG D 359 381 ARG A Protein A 5 FT #SUB 44 66 GLY D 44 66 GLY A Protein B 1 FT #SUB 45 67 PRO D 41 63 GLU A Protein S 3 FT #SUB 45 67 PRO D 42 64 ARG A Protein S 2 FT #SUB 359 381 ARG D 42 64 ARG A Protein S 13 FT #SUB 380 402 PRO D 387 409 ARG A Protein B 2 FT #SUB 381 403 ARG D 38 60 LYS A Protein S 3 FT #SUB 381 403 ARG D 41 63 GLU A Protein S 3 FT #SUB 385 407 ASN D 385 407 ASN A Protein S 1 FT #SUB 107 129 ARG D 252 274 ARG B Protein S 2 FT #SUB 107 129 ARG D 256 278 GLU B Protein S 2 FT #SUB 114 136 ARG D 115 137 GLY B Protein B 1 FT #SUB 114 136 ARG D 251 273 ILE B Protein S 1 FT #SUB 114 136 ARG D 255 277 GLU B Protein S 8 FT #SUB 115 137 GLY D 111 133 ALA B Protein B 3 FT #SUB 115 137 GLY D 114 136 ARG B Protein B 2 FT #SUB 115 137 GLY D 115 137 GLY B Protein B 2 FT #SUB 116 138 PHE D 120 142 LYS B Protein B 1 FT #SUB 117 139 GLY D 115 137 GLY B Protein B 1 FT #SUB 120 142 LYS D 115 137 GLY B Protein S 3 FT #SUB 125 147 GLU D 121 143 ARG B Protein S 4 FT #SUB 240 262 ASN D 114 136 ARG B Protein B 2 FT #SUB 240 262 ASN D 416 438 TYR B Protein S 1 FT #SUB 242 264 PRO D 114 136 ARG B Protein S 3 FT #SUB 252 274 ARG D 107 129 ARG B Protein S 12 FT #SUB 255 277 GLU D 107 129 ARG B Protein S 1 FT #SUB 256 278 GLU D 103 125 LYS B Protein S 1 FT #SUB 441 463 LYS D 121 143 ARG F Protein S 1 FT #SUB 445 467 SER D 125 147 GLU F Protein S 3 FT #SUB 18 40 LEU D 26 48 GLN H Protein S 2 FT #SUB 19 41 PRO D 25 47 LEU H Protein A 3 FT #SUB 21 43 ILE D 25 47 LEU H Protein S 3 FT #SUB 25 47 LEU D 18 40 LEU H Protein S 1 FT #HET 79 101 ARG D 7 501 HEM D S 9 FT #HET 85 107 PHE D 8 502 0QA D S 6 FT #HET 89 111 PHE D 8 502 0QA D S 3 FT #HET 94 116 VAL D 7 501 HEM D A 2 FT #HET 95 117 ALA D 7 501 HEM D A 5 FT #HET 95 117 ALA D 8 502 0QA D S 1 FT #HET 96 118 PHE D 8 502 0QA D S 3 FT #HET 106 128 ARG D 7 501 HEM D S 4 FT #HET 275 297 ASN D 8 502 0QA D A 11 FT #HET 276 298 LEU D 7 501 HEM D S 1 FT #HET 278 300 PHE D 8 502 0QA D S 7 FT #HET 279 301 ALA D 7 501 HEM D A 5 FT #HET 279 301 ALA D 8 502 0QA D S 4 FT #HET 280 302 GLY D 7 501 HEM D B 3 FT #HET 283 305 THR D 7 501 HEM D S 6 FT #HET 283 305 THR D 8 502 0QA D S 4 FT #HET 284 306 VAL D 7 501 HEM D S 2 FT #HET 287 309 THR D 7 501 HEM D S 1 FT #HET 338 360 GLN D 7 501 HEM D S 1 FT #HET 344 366 LEU D 7 501 HEM D S 2 FT #HET 344 366 LEU D 8 502 0QA D S 2 FT #HET 348 370 LEU D 7 501 HEM D S 2 FT #HET 350 372 HIS D 7 501 HEM D S 6 FT #HET 373 395 LEU D 7 501 HEM D S 1 FT #HET 409 431 PRO D 7 501 HEM D B 3 FT #HET 410 432 PHE D 7 501 HEM D A 10 FT #HET 411 433 SER D 7 501 HEM D S 7 FT #HET 415 437 ARG D 7 501 HEM D A 19 FT #HET 417 439 CYS D 7 501 HEM D A 21 FT #HET 418 440 PHE D 7 501 HEM D S 3 FT #HET 419 441 GLY D 7 501 HEM D B 6 FT #HET 422 444 LEU D 7 501 HEM D S 1 FT #HET 423 445 ALA D 7 501 HEM D S 1 FT #HET 458 480 PHE D 8 502 0QA D S 2 FT DISORDER 1 8 FT DISORDER 473 476 CC SEQUENCE 464 AA (ATOM); CC GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV LCGHDAVKEA CC LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF SIATLRGFGV GKRGIEERIQ CC EEAGFLIDAL RGTHGANIDP TFFLSRTVSN VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ CC FTATSTGQLY EMFSSVMKHL PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS CC FLIRMQEEEK NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE CC IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF RDFFLPKGTE CC VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV PFSIGKRYCF GEGLARMELF CC LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF ATIPRNYTMS FLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM --------GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ****************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHE STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 18 40 LEU E 25 47 LEU A Protein S 1 FT #SUB 25 47 LEU E 19 41 PRO A Protein A 3 FT #SUB 25 47 LEU E 21 43 ILE A Protein S 2 FT #SUB 103 125 LYS E 405 427 ASP G Protein S 1 FT #SUB 107 129 ARG E 405 427 ASP G Protein S 2 FT #SUB 114 136 ARG E 400 422 GLN G Protein A 3 FT #SUB 115 137 GLY E 398 420 LYS G Protein B 1 FT #SUB 115 137 GLY E 400 422 GLN G Protein B 1 FT #SUB 120 142 LYS E 400 422 GLN G Protein S 4 FT #SUB 354 376 LYS E 71 93 ASP G Protein S 1 FT #SUB 405 427 ASP E 114 136 ARG G Protein S 3 FT #HET 79 101 ARG E 9 501 HEM E S 6 FT #HET 85 107 PHE E 10 502 0QA E S 1 FT #HET 89 111 PHE E 10 502 0QA E S 3 FT #HET 94 116 VAL E 9 501 HEM E A 2 FT #HET 95 117 ALA E 9 501 HEM E A 5 FT #HET 96 118 PHE E 10 502 0QA E S 5 FT #HET 106 128 ARG E 9 501 HEM E S 5 FT #HET 275 297 ASN E 10 502 0QA E A 11 FT #HET 276 298 LEU E 9 501 HEM E S 1 FT #HET 278 300 PHE E 10 502 0QA E S 3 FT #HET 279 301 ALA E 9 501 HEM E A 10 FT #HET 279 301 ALA E 10 502 0QA E A 4 FT #HET 280 302 GLY E 9 501 HEM E B 6 FT #HET 283 305 THR E 9 501 HEM E A 7 FT #HET 283 305 THR E 10 502 0QA E S 2 FT #HET 284 306 VAL E 9 501 HEM E S 2 FT #HET 287 309 THR E 9 501 HEM E S 1 FT #HET 338 360 GLN E 9 501 HEM E S 1 FT #HET 344 366 LEU E 9 501 HEM E S 2 FT #HET 344 366 LEU E 10 502 0QA E S 1 FT #HET 348 370 LEU E 9 501 HEM E S 2 FT #HET 348 370 LEU E 10 502 0QA E S 2 FT #HET 350 372 HIS E 9 501 HEM E S 6 FT #HET 373 395 LEU E 9 501 HEM E S 1 FT #HET 409 431 PRO E 9 501 HEM E B 3 FT #HET 410 432 PHE E 9 501 HEM E A 13 FT #HET 411 433 SER E 9 501 HEM E A 7 FT #HET 415 437 ARG E 9 501 HEM E A 19 FT #HET 417 439 CYS E 9 501 HEM E A 22 FT #HET 418 440 PHE E 9 501 HEM E S 3 FT #HET 419 441 GLY E 9 501 HEM E B 7 FT #HET 423 445 ALA E 9 501 HEM E S 1 FT #HET 458 480 PHE E 10 502 0QA E S 4 FT DISORDER 1 8 FT DISORDER 473 476 CC SEQUENCE 464 AA (ATOM); CC GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV LCGHDAVKEA CC LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF SIATLRGFGV GKRGIEERIQ CC EEAGFLIDAL RGTHGANIDP TFFLSRTVSN VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ CC FTATSTGQLY EMFSSVMKHL PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS CC FLIRMQEEEK NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE CC IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF RDFFLPKGTE CC VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV PFSIGKRYCF GEGLARMELF CC LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF ATIPRNYTMS FLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM --------GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ****************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHF STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 121 143 ARG F 441 463 LYS D Protein S 1 FT #SUB 125 147 GLU F 445 467 SER D Protein S 3 FT #HET 79 101 ARG F 11 501 HEM F S 7 FT #HET 89 111 PHE F 12 502 0QA F S 3 FT #HET 94 116 VAL F 11 501 HEM F A 4 FT #HET 95 117 ALA F 11 501 HEM F A 5 FT #HET 96 118 PHE F 12 502 0QA F S 2 FT #HET 106 128 ARG F 11 501 HEM F S 5 FT #HET 275 297 ASN F 12 502 0QA F A 11 FT #HET 276 298 LEU F 11 501 HEM F S 1 FT #HET 278 300 PHE F 12 502 0QA F S 14 FT #HET 279 301 ALA F 11 501 HEM F A 7 FT #HET 279 301 ALA F 12 502 0QA F S 4 FT #HET 280 302 GLY F 11 501 HEM F B 5 FT #HET 283 305 THR F 11 501 HEM F A 8 FT #HET 283 305 THR F 12 502 0QA F S 3 FT #HET 284 306 VAL F 11 501 HEM F A 2 FT #HET 338 360 GLN F 11 501 HEM F S 1 FT #HET 343 365 MET F 11 501 HEM F S 2 FT #HET 344 366 LEU F 12 502 0QA F S 1 FT #HET 348 370 LEU F 11 501 HEM F S 2 FT #HET 348 370 LEU F 12 502 0QA F S 1 FT #HET 350 372 HIS F 11 501 HEM F S 6 FT #HET 373 395 LEU F 11 501 HEM F S 1 FT #HET 409 431 PRO F 11 501 HEM F B 3 FT #HET 410 432 PHE F 11 501 HEM F A 9 FT #HET 411 433 SER F 11 501 HEM F A 9 FT #HET 415 437 ARG F 11 501 HEM F A 18 FT #HET 417 439 CYS F 11 501 HEM F A 21 FT #HET 418 440 PHE F 11 501 HEM F S 2 FT #HET 419 441 GLY F 11 501 HEM F B 4 FT #HET 422 444 LEU F 11 501 HEM F S 1 FT #HET 423 445 ALA F 11 501 HEM F S 2 FT #HET 458 480 PHE F 12 502 0QA F S 3 FT DISORDER 1 8 FT DISORDER 473 476 CC SEQUENCE 464 AA (ATOM); CC GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV LCGHDAVKEA CC LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF SIATLRGFGV GKRGIEERIQ CC EEAGFLIDAL RGTHGANIDP TFFLSRTVSN VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ CC FTATSTGQLY EMFSSVMKHL PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS CC FLIRMQEEEK NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE CC IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF RDFFLPKGTE CC VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV PFSIGKRYCF GEGLARMELF CC LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF ATIPRNYTMS FLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM --------GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ****************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHG STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 19 41 PRO G 207 229 HIS B Protein A 3 FT #SUB 19 41 PRO G 208 230 LEU B Protein B 1 FT #SUB 19 41 PRO G 209 231 PRO B Protein S 2 FT #SUB 20 42 PHE G 204 226 VAL B Protein S 2 FT #SUB 20 42 PHE G 207 229 HIS B Protein B 1 FT #SUB 20 42 PHE G 208 230 LEU B Protein S 1 FT #SUB 53 75 PRO G 207 229 HIS B Protein S 7 FT #SUB 203 225 SER G 20 42 PHE B Protein B 1 FT #SUB 204 226 VAL G 20 42 PHE B Protein B 1 FT #SUB 204 226 VAL G 204 226 VAL B Protein S 1 FT #SUB 207 229 HIS G 19 41 PRO B Protein B 1 FT #SUB 207 229 HIS G 20 42 PHE B Protein A 4 FT #SUB 207 229 HIS G 53 75 PRO B Protein S 5 FT #SUB 261 283 ASN G 261 283 ASN B Protein S 5 FT #SUB 71 93 ASP G 354 376 LYS E Protein B 1 FT #SUB 114 136 ARG G 405 427 ASP E Protein S 3 FT #SUB 398 420 LYS G 115 137 GLY E Protein S 1 FT #SUB 400 422 GLN G 114 136 ARG E Protein S 3 FT #SUB 400 422 GLN G 115 137 GLY E Protein S 1 FT #SUB 400 422 GLN G 120 142 LYS E Protein S 4 FT #SUB 405 427 ASP G 103 125 LYS E Protein S 1 FT #SUB 405 427 ASP G 107 129 ARG E Protein S 2 FT #HET 79 101 ARG G 13 501 HEM G S 7 FT #HET 94 116 VAL G 13 501 HEM G A 2 FT #HET 95 117 ALA G 13 501 HEM G A 5 FT #HET 106 128 ARG G 13 501 HEM G S 4 FT #HET 192 214 THR G 14 502 GOL G A 6 FT #HET 193 215 SER G 14 502 GOL G A 8 FT #HET 194 216 THR G 14 502 GOL G A 4 FT #HET 276 298 LEU G 13 501 HEM G S 1 FT #HET 279 301 ALA G 13 501 HEM G A 18 FT #HET 280 302 GLY G 13 501 HEM G B 5 FT #HET 283 305 THR G 13 501 HEM G A 8 FT #HET 287 309 THR G 13 501 HEM G S 1 FT #HET 338 360 GLN G 13 501 HEM G S 1 FT #HET 343 365 MET G 13 501 HEM G S 1 FT #HET 344 366 LEU G 13 501 HEM G S 4 FT #HET 348 370 LEU G 13 501 HEM G S 2 FT #HET 350 372 HIS G 13 501 HEM G S 6 FT #HET 373 395 LEU G 13 501 HEM G S 1 FT #HET 409 431 PRO G 13 501 HEM G B 3 FT #HET 410 432 PHE G 13 501 HEM G S 9 FT #HET 411 433 SER G 13 501 HEM G A 7 FT #HET 415 437 ARG G 13 501 HEM G A 23 FT #HET 417 439 CYS G 13 501 HEM G A 24 FT #HET 418 440 PHE G 13 501 HEM G S 3 FT #HET 419 441 GLY G 13 501 HEM G B 4 FT #HET 422 444 LEU G 13 501 HEM G S 1 FT #HET 423 445 ALA G 13 501 HEM G S 2 FT DISORDER 1 9 FT DISORDER 473 476 CC SEQUENCE 463 AA (ATOM); CC KLPPGPTPLP FIGNYLQLNT EQMYNSLMKI SERYGPVFTI HLGPRRVVVL CGHDAVKEAL CC VDQAEEFSGR GEQATFDWLF KGYGVAFSNG ERAKQLRRFS IATLRGFGVG KRGIEERIQE CC EAGFLIDALR GTHGANIDPT FFLSRTVSNV ISSIVFGDRF DYEDKEFLSL LRMMLGSFQF CC TATSTGQLYE MFSSVMKHLP GPQQQAFKEL QGLEDFIAKK VEHNQRTLDP NSPRDFIDSF CC LIRMQEEEKN PNTEFYLKNL VMTTLNLFFA GTETVSTTLR YGFLLLMKHP EVEAKVHEEI CC DRVIGKNRQP KFEDRAKMPY TEAVIHEIQR FGDMLPMGLA HRVNKDTKFR DFFLPKGTEV CC FPMLGSVLRD PRFFSNPRDF NPQHFLDKKG QFKKSDAFVP FSIGKRYCFG EGLARMELFL CC FFTTIMQNFR FKSPQSPKDI DVSPKHVGFA TIPRNYTMSF LPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM ---------KLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ***************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 4EJHH STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 4EJH DE Cytochrome P450 2A13 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.350 CC R-Factor 0.217 FT #SUB 18 40 LEU H 25 47 LEU D Protein S 1 FT #SUB 25 47 LEU H 19 41 PRO D Protein A 3 FT #SUB 25 47 LEU H 21 43 ILE D Protein S 3 FT #SUB 26 48 GLN H 18 40 LEU D Protein S 2 FT #HET 79 101 ARG H 15 501 HEM H S 8 FT #HET 94 116 VAL H 15 501 HEM H A 3 FT #HET 95 117 ALA H 15 501 HEM H A 5 FT #HET 106 128 ARG H 15 501 HEM H S 3 FT #HET 160 182 ILE H 15 501 HEM H S 1 FT #HET 192 214 THR H 16 502 GOL H S 3 FT #HET 193 215 SER H 16 502 GOL H A 5 FT #HET 194 216 THR H 16 502 GOL H A 6 FT #HET 276 298 LEU H 15 501 HEM H A 4 FT #HET 279 301 ALA H 15 501 HEM H A 15 FT #HET 280 302 GLY H 15 501 HEM H B 8 FT #HET 283 305 THR H 15 501 HEM H A 11 FT #HET 287 309 THR H 15 501 HEM H S 1 FT #HET 348 370 LEU H 15 501 HEM H S 2 FT #HET 350 372 HIS H 15 501 HEM H S 7 FT #HET 373 395 LEU H 15 501 HEM H S 1 FT #HET 409 431 PRO H 15 501 HEM H B 3 FT #HET 410 432 PHE H 15 501 HEM H A 11 FT #HET 411 433 SER H 15 501 HEM H S 3 FT #HET 415 437 ARG H 15 501 HEM H A 17 FT #HET 417 439 CYS H 15 501 HEM H A 15 FT #HET 418 440 PHE H 15 501 HEM H S 2 FT #HET 419 441 GLY H 15 501 HEM H B 9 FT #HET 422 444 LEU H 15 501 HEM H S 1 FT #HET 423 445 ALA H 15 501 HEM H S 1 FT DISORDER 1 9 FT DISORDER 118 121 FT DISORDER 473 476 CC SEQUENCE 459 AA (ATOM); CC KLPPGPTPLP FIGNYLQLNT EQMYNSLMKI SERYGPVFTI HLGPRRVVVL CGHDAVKEAL CC VDQAEEFSGR GEQATFDWLF KGYGVAFSNG ERAKQLRRFS IATLRGFGGI EERIQEEAGF CC LIDALRGTHG ANIDPTFFLS RTVSNVISSI VFGDRFDYED KEFLSLLRMM LGSFQFTATS CC TGQLYEMFSS VMKHLPGPQQ QAFKELQGLE DFIAKKVEHN QRTLDPNSPR DFIDSFLIRM CC QEEEKNPNTE FYLKNLVMTT LNLFFAGTET VSTTLRYGFL LLMKHPEVEA KVHEEIDRVI CC GKNRQPKFED RAKMPYTEAV IHEIQRFGDM LPMGLAHRVN KDTKFRDFFL PKGTEVFPML CC GSVLRDPRFF SNPRDFNPQH FLDKKGQFKK SDAFVPFSIG KRYCFGEGLA RMELFLFFTT CC IMQNFRFKSP QSPKDIDVSP KHVGFATIPR NYTMSFLPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM ---------KLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ***************************************** CC SEQRES LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ATOM LGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTF CC ATOM RAKQLRRFSIATLRGFG----GIEERIQEEAGFLIDALRGTHGANIDPTF CC ***************** ***************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAH CC ************************************************** CC SEQRES RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ATOM RVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ATOM FKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVKEALV DQAEEFSGRG EQATFDWLFK GYGVAFSNGE RAKQLRRFSI ATLRGFGVGK RGIEERIQEE AGFLIDALRG THGANIDPTF FLSRTVSNVI SSIVFGDRFD YEDKEFLSLL RMMLGSFQFT ATSTGQLYEM FSSVMKHLPG PQQQAFKELQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFFAG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYT EAVIHEIQRF GDMLPMGLAH RVNKDTKFRD FFLPKGTEVF PMLGSVLRDP RFFSNPRDFN PQHFLDKKGQ FKKSDAFVPF SIGKRYCFGE GLARMELFLF FTTIMQNFRF KSPQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH //