ID 3T3RA STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 3T3R DE Cytochrome P450 2A6 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.202 FT #SUB 316 338 ASN A 75 97 GLU B Protein S 2 FT #SUB 140 162 GLY A 317 339 ARG D Protein B 2 FT #SUB 141 163 THR A 316 338 ASN D Protein A 3 FT #SUB 141 163 THR A 317 339 ARG D Protein B 7 FT #SUB 141 163 THR A 318 340 GLN D Protein B 4 FT #SUB 142 164 GLY A 128 150 GLN D Protein B 1 FT #SUB 142 164 GLY A 318 340 GLN D Protein B 5 FT #SUB 143 165 GLY A 318 340 GLN D Protein B 2 FT #SUB 144 166 ALA A 316 338 ASN D Protein S 1 FT #SUB 144 166 ALA A 317 339 ARG D Protein S 2 FT #SUB 144 166 ALA A 318 340 GLN D Protein A 4 FT #SUB 145 167 ASN A 139 161 ARG D Protein S 1 FT #SUB 146 168 ILE A 316 338 ASN D Protein S 2 FT #SUB 439 461 ARG A 129 151 GLU D Protein S 4 FT #SUB 470 492 LEU A 129 151 GLU D Protein S 1 FT #HET 79 101 ARG A 1 500 HEM A S 7 FT #HET 85 107 PHE A 2 501 9PL A S 5 FT #HET 89 111 PHE A 2 501 9PL A S 2 FT #HET 94 116 VAL A 1 500 HEM A S 1 FT #HET 95 117 VAL A 1 500 HEM A A 4 FT #HET 95 117 VAL A 2 501 9PL A S 2 FT #HET 96 118 PHE A 2 501 9PL A S 3 FT #HET 106 128 ARG A 1 500 HEM A S 5 FT #HET 160 182 ILE A 1 500 HEM A S 1 FT #HET 187 209 PHE A 2 501 9PL A S 2 FT #HET 275 297 ASN A 2 501 9PL A A 8 FT #HET 276 298 LEU A 1 500 HEM A S 1 FT #HET 278 300 ILE A 2 501 9PL A A 2 FT #HET 279 301 GLY A 1 500 HEM A B 7 FT #HET 279 301 GLY A 2 501 9PL A B 5 FT #HET 280 302 GLY A 1 500 HEM A B 7 FT #HET 283 305 THR A 1 500 HEM A A 16 FT #HET 283 305 THR A 2 501 9PL A S 5 FT #HET 284 306 VAL A 1 500 HEM A A 3 FT #HET 287 309 THR A 1 500 HEM A S 1 FT #HET 338 360 GLN A 1 500 HEM A S 1 FT #HET 347 369 SER A 1 500 HEM A S 5 FT #HET 348 370 LEU A 1 500 HEM A A 2 FT #HET 348 370 LEU A 2 501 9PL A S 1 FT #HET 350 372 ARG A 1 500 HEM A S 7 FT #HET 373 395 LEU A 1 500 HEM A S 1 FT #HET 409 431 PRO A 1 500 HEM A B 3 FT #HET 410 432 PHE A 1 500 HEM A S 8 FT #HET 411 433 SER A 1 500 HEM A S 5 FT #HET 412 434 ILE A 1 500 HEM A B 1 FT #HET 415 437 ARG A 1 500 HEM A A 18 FT #HET 416 438 ASN A 1 500 HEM A B 5 FT #HET 417 439 CYS A 1 500 HEM A A 24 FT #HET 418 440 PHE A 1 500 HEM A S 4 FT #HET 419 441 GLY A 1 500 HEM A B 7 FT #HET 422 444 LEU A 1 500 HEM A S 1 FT #HET 423 445 ALA A 1 500 HEM A S 2 FT #HET 458 480 PHE A 2 501 9PL A S 1 FT DISORDER 1 9 FT DISORDER 473 476 CC SEQUENCE 463 AA (ATOM); CC KLPPGPTPLP FIGNYLQLNT EQMYNSLMKI SERYGPVFTI HLGPRRVVVL CGHDAVREAL CC VDQAEEFSGR GEQATFDWVF KGYGVVFSNG ERAKQLRRFS IATLRDFGVG KRGIEERIQE CC EAGFLIDALR GTGGANIDPT FFLSRTVSNV ISSIVFGDRF DYKDKEFLSL LRMMLGIFQF CC TSTSTGQLYE MFSSVMKHLP GPQQQAFQLL QGLEDFIAKK VEHNQRTLDP NSPRDFIDSF CC LIRMQEEEKN PNTEFYLKNL VMTTLNLFIG GTETVSTTLR YGFLLLMKHP EVEAKVHEEI CC DRVIGKNRQP KFEDRAKMPY MEAVIHEIQR FGDVIPMSLA RRVKKDTKFR DFFLPKGTEV CC YPMLGSVLRD PSFFSNPQDF NPQHFLNEKG QFKKSDAFVP FSIGKRNCFG EGLARMELFL CC FFTTVMQNFR LKSSQSPKDI DVSPKHVGFA TIPRNYTMSF LPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM ---------KLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ***************************************** CC SEQRES LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ATOM LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ATOM RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ************************************************** CC SEQRES RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ATOM RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ATOM FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVREALV DQAEEFSGRG EQATFDWVFK GYGVVFSNGE RAKQLRRFSI ATLRDFGVGK RGIEERIQEE AGFLIDALRG TGGANIDPTF FLSRTVSNVI SSIVFGDRFD YKDKEFLSLL RMMLGIFQFT STSTGQLYEM FSSVMKHLPG PQQQAFQLLQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFIGG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYM EAVIHEIQRF GDVIPMSLAR RVKKDTKFRD FFLPKGTEVY PMLGSVLRDP SFFSNPQDFN PQHFLNEKGQ FKKSDAFVPF SIGKRNCFGE GLARMELFLF FTTVMQNFRL KSSQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 3T3RB STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 3T3R DE Cytochrome P450 2A6 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.202 FT #SUB 75 97 GLU B 316 338 ASN A Protein S 2 FT #SUB 19 41 PRO B 207 229 HIS C Protein A 2 FT #SUB 19 41 PRO B 209 231 PRO C Protein S 1 FT #SUB 20 42 PHE B 204 226 VAL C Protein S 3 FT #SUB 20 42 PHE B 207 229 HIS C Protein B 2 FT #SUB 20 42 PHE B 208 230 LEU C Protein S 1 FT #SUB 53 75 PRO B 207 229 HIS C Protein S 5 FT #SUB 203 225 SER B 20 42 PHE C Protein B 1 FT #SUB 203 225 SER B 203 225 SER C Protein S 4 FT #SUB 204 226 VAL B 20 42 PHE C Protein B 3 FT #SUB 204 226 VAL B 204 226 VAL C Protein S 1 FT #SUB 207 229 HIS B 19 41 PRO C Protein B 3 FT #SUB 207 229 HIS B 20 42 PHE C Protein A 5 FT #SUB 207 229 HIS B 53 75 PRO C Protein S 7 FT #SUB 208 230 LEU B 20 42 PHE C Protein S 1 FT #SUB 209 231 PRO B 19 41 PRO C Protein S 1 FT #SUB 261 283 ASN B 261 283 ASN C Protein S 10 FT #SUB 322 344 GLU B 258 280 LYS D Protein S 3 FT #SUB 325 347 ALA B 258 280 LYS D Protein S 1 FT #SUB 325 347 ALA B 259 281 ASN D Protein A 5 FT #SUB 326 348 LYS B 258 280 LYS D Protein S 1 FT #SUB 326 348 LYS B 260 282 PRO D Protein S 2 FT #SUB 398 420 LYS B 100 122 GLU D Protein S 3 FT #SUB 398 420 LYS B 103 125 LYS D Protein S 2 FT #SUB 400 422 GLN B 100 122 GLU D Protein S 1 FT #SUB 400 422 GLN B 104 126 GLN D Protein S 1 FT #SUB 403 425 LYS B 255 277 GLU D Protein S 6 FT #HET 79 101 ARG B 3 500 HEM B S 6 FT #HET 85 107 PHE B 4 501 9PL B S 6 FT #HET 89 111 PHE B 4 501 9PL B S 2 FT #HET 95 117 VAL B 3 500 HEM B A 4 FT #HET 95 117 VAL B 4 501 9PL B S 1 FT #HET 96 118 PHE B 4 501 9PL B S 1 FT #HET 106 128 ARG B 3 500 HEM B S 5 FT #HET 187 209 PHE B 4 501 9PL B S 2 FT #HET 275 297 ASN B 4 501 9PL B A 11 FT #HET 276 298 LEU B 3 500 HEM B S 1 FT #HET 278 300 ILE B 4 501 9PL B S 2 FT #HET 279 301 GLY B 3 500 HEM B B 7 FT #HET 279 301 GLY B 4 501 9PL B B 5 FT #HET 280 302 GLY B 3 500 HEM B B 4 FT #HET 283 305 THR B 3 500 HEM B S 9 FT #HET 283 305 THR B 4 501 9PL B S 6 FT #HET 284 306 VAL B 3 500 HEM B S 1 FT #HET 287 309 THR B 3 500 HEM B S 1 FT #HET 338 360 GLN B 3 500 HEM B S 1 FT #HET 344 366 ILE B 3 500 HEM B S 1 FT #HET 347 369 SER B 3 500 HEM B S 3 FT #HET 348 370 LEU B 3 500 HEM B B 1 FT #HET 350 372 ARG B 3 500 HEM B S 9 FT #HET 373 395 LEU B 3 500 HEM B S 1 FT #HET 409 431 PRO B 3 500 HEM B B 3 FT #HET 410 432 PHE B 3 500 HEM B S 8 FT #HET 411 433 SER B 3 500 HEM B S 5 FT #HET 412 434 ILE B 3 500 HEM B B 1 FT #HET 415 437 ARG B 3 500 HEM B A 20 FT #HET 416 438 ASN B 3 500 HEM B B 5 FT #HET 417 439 CYS B 3 500 HEM B A 21 FT #HET 418 440 PHE B 3 500 HEM B S 5 FT #HET 419 441 GLY B 3 500 HEM B B 7 FT #HET 422 444 LEU B 3 500 HEM B S 1 FT #HET 423 445 ALA B 3 500 HEM B S 2 FT #HET 458 480 PHE B 4 501 9PL B S 2 FT DISORDER 1 9 FT DISORDER 473 476 CC SEQUENCE 463 AA (ATOM); CC KLPPGPTPLP FIGNYLQLNT EQMYNSLMKI SERYGPVFTI HLGPRRVVVL CGHDAVREAL CC VDQAEEFSGR GEQATFDWVF KGYGVVFSNG ERAKQLRRFS IATLRDFGVG KRGIEERIQE CC EAGFLIDALR GTGGANIDPT FFLSRTVSNV ISSIVFGDRF DYKDKEFLSL LRMMLGIFQF CC TSTSTGQLYE MFSSVMKHLP GPQQQAFQLL QGLEDFIAKK VEHNQRTLDP NSPRDFIDSF CC LIRMQEEEKN PNTEFYLKNL VMTTLNLFIG GTETVSTTLR YGFLLLMKHP EVEAKVHEEI CC DRVIGKNRQP KFEDRAKMPY MEAVIHEIQR FGDVIPMSLA RRVKKDTKFR DFFLPKGTEV CC YPMLGSVLRD PSFFSNPQDF NPQHFLNEKG QFKKSDAFVP FSIGKRNCFG EGLARMELFL CC FFTTVMQNFR LKSSQSPKDI DVSPKHVGFA TIPRNYTMSF LPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM ---------KLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ***************************************** CC SEQRES LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ATOM LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ATOM RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ************************************************** CC SEQRES RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ATOM RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ATOM FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVREALV DQAEEFSGRG EQATFDWVFK GYGVVFSNGE RAKQLRRFSI ATLRDFGVGK RGIEERIQEE AGFLIDALRG TGGANIDPTF FLSRTVSNVI SSIVFGDRFD YKDKEFLSLL RMMLGIFQFT STSTGQLYEM FSSVMKHLPG PQQQAFQLLQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFIGG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYM EAVIHEIQRF GDVIPMSLAR RVKKDTKFRD FFLPKGTEVY PMLGSVLRDP SFFSNPQDFN PQHFLNEKGQ FKKSDAFVPF SIGKRNCFGE GLARMELFLF FTTVMQNFRL KSSQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 3T3RC STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 3T3R DE Cytochrome P450 2A6 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.202 FT #SUB 19 41 PRO C 207 229 HIS B Protein A 3 FT #SUB 19 41 PRO C 209 231 PRO B Protein S 1 FT #SUB 20 42 PHE C 203 225 SER B Protein S 1 FT #SUB 20 42 PHE C 204 226 VAL B Protein S 3 FT #SUB 20 42 PHE C 207 229 HIS B Protein A 5 FT #SUB 20 42 PHE C 208 230 LEU B Protein S 1 FT #SUB 53 75 PRO C 207 229 HIS B Protein S 7 FT #SUB 203 225 SER C 203 225 SER B Protein S 4 FT #SUB 204 226 VAL C 20 42 PHE B Protein A 3 FT #SUB 204 226 VAL C 204 226 VAL B Protein S 1 FT #SUB 207 229 HIS C 19 41 PRO B Protein B 2 FT #SUB 207 229 HIS C 20 42 PHE B Protein A 2 FT #SUB 207 229 HIS C 53 75 PRO B Protein S 5 FT #SUB 208 230 LEU C 20 42 PHE B Protein S 1 FT #SUB 209 231 PRO C 19 41 PRO B Protein S 1 FT #SUB 261 283 ASN C 261 283 ASN B Protein S 10 FT #HET 79 101 ARG C 5 500 HEM C S 6 FT #HET 85 107 PHE C 6 501 9PL C S 8 FT #HET 89 111 PHE C 6 501 9PL C S 2 FT #HET 94 116 VAL C 5 500 HEM C A 2 FT #HET 95 117 VAL C 5 500 HEM C A 6 FT #HET 95 117 VAL C 6 501 9PL C S 1 FT #HET 96 118 PHE C 6 501 9PL C S 1 FT #HET 106 128 ARG C 5 500 HEM C S 6 FT #HET 160 182 ILE C 5 500 HEM C S 1 FT #HET 187 209 PHE C 6 501 9PL C S 1 FT #HET 275 297 ASN C 6 501 9PL C A 11 FT #HET 278 300 ILE C 6 501 9PL C A 4 FT #HET 279 301 GLY C 5 500 HEM C B 14 FT #HET 279 301 GLY C 6 501 9PL C B 9 FT #HET 280 302 GLY C 5 500 HEM C B 8 FT #HET 283 305 THR C 5 500 HEM C S 9 FT #HET 283 305 THR C 6 501 9PL C S 6 FT #HET 284 306 VAL C 5 500 HEM C S 1 FT #HET 287 309 THR C 5 500 HEM C S 1 FT #HET 338 360 GLN C 5 500 HEM C S 1 FT #HET 347 369 SER C 5 500 HEM C S 5 FT #HET 348 370 LEU C 5 500 HEM C A 2 FT #HET 350 372 ARG C 5 500 HEM C S 9 FT #HET 373 395 LEU C 5 500 HEM C S 1 FT #HET 409 431 PRO C 5 500 HEM C B 3 FT #HET 410 432 PHE C 5 500 HEM C A 9 FT #HET 411 433 SER C 5 500 HEM C S 6 FT #HET 412 434 ILE C 5 500 HEM C B 1 FT #HET 415 437 ARG C 5 500 HEM C A 18 FT #HET 416 438 ASN C 5 500 HEM C B 5 FT #HET 417 439 CYS C 5 500 HEM C A 22 FT #HET 418 440 PHE C 5 500 HEM C S 2 FT #HET 419 441 GLY C 5 500 HEM C B 7 FT #HET 422 444 LEU C 5 500 HEM C S 1 FT #HET 423 445 ALA C 5 500 HEM C S 2 FT #HET 458 480 PHE C 6 501 9PL C S 2 FT DISORDER 1 9 FT DISORDER 473 476 CC SEQUENCE 463 AA (ATOM); CC KLPPGPTPLP FIGNYLQLNT EQMYNSLMKI SERYGPVFTI HLGPRRVVVL CGHDAVREAL CC VDQAEEFSGR GEQATFDWVF KGYGVVFSNG ERAKQLRRFS IATLRDFGVG KRGIEERIQE CC EAGFLIDALR GTGGANIDPT FFLSRTVSNV ISSIVFGDRF DYKDKEFLSL LRMMLGIFQF CC TSTSTGQLYE MFSSVMKHLP GPQQQAFQLL QGLEDFIAKK VEHNQRTLDP NSPRDFIDSF CC LIRMQEEEKN PNTEFYLKNL VMTTLNLFIG GTETVSTTLR YGFLLLMKHP EVEAKVHEEI CC DRVIGKNRQP KFEDRAKMPY MEAVIHEIQR FGDVIPMSLA RRVKKDTKFR DFFLPKGTEV CC YPMLGSVLRD PSFFSNPQDF NPQHFLNEKG QFKKSDAFVP FSIGKRNCFG EGLARMELFL CC FFTTVMQNFR LKSSQSPKDI DVSPKHVGFA TIPRNYTMSF LPR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM ---------KLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ***************************************** CC SEQRES LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ATOM LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ATOM RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ************************************************** CC SEQRES RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ATOM RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ATOM FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPR---- CC ********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVREALV DQAEEFSGRG EQATFDWVFK GYGVVFSNGE RAKQLRRFSI ATLRDFGVGK RGIEERIQEE AGFLIDALRG TGGANIDPTF FLSRTVSNVI SSIVFGDRFD YKDKEFLSLL RMMLGIFQFT STSTGQLYEM FSSVMKHLPG PQQQAFQLLQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFIGG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYM EAVIHEIQRF GDVIPMSLAR RVKKDTKFRD FFLPKGTEVY PMLGSVLRDP SFFSNPQDFN PQHFLNEKGQ FKKSDAFVPF SIGKRNCFGE GLARMELFLF FTTVMQNFRL KSSQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH // ID 3T3RD STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 3T3R DE Cytochrome P450 2A6 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.202 FT #SUB 128 150 GLN D 142 164 GLY A Protein S 1 FT #SUB 129 151 GLU D 439 461 ARG A Protein S 4 FT #SUB 129 151 GLU D 470 492 LEU A Protein S 1 FT #SUB 139 161 ARG D 145 167 ASN A Protein S 1 FT #SUB 316 338 ASN D 141 163 THR A Protein B 3 FT #SUB 316 338 ASN D 144 166 ALA A Protein B 1 FT #SUB 316 338 ASN D 146 168 ILE A Protein B 2 FT #SUB 317 339 ARG D 140 162 GLY A Protein S 2 FT #SUB 317 339 ARG D 141 163 THR A Protein A 7 FT #SUB 317 339 ARG D 144 166 ALA A Protein B 2 FT #SUB 318 340 GLN D 141 163 THR A Protein A 4 FT #SUB 318 340 GLN D 142 164 GLY A Protein S 5 FT #SUB 318 340 GLN D 143 165 GLY A Protein S 2 FT #SUB 318 340 GLN D 144 166 ALA A Protein A 4 FT #SUB 100 122 GLU D 398 420 LYS B Protein S 3 FT #SUB 100 122 GLU D 400 422 GLN B Protein S 1 FT #SUB 103 125 LYS D 398 420 LYS B Protein S 2 FT #SUB 104 126 GLN D 400 422 GLN B Protein S 1 FT #SUB 255 277 GLU D 403 425 LYS B Protein S 6 FT #SUB 258 280 LYS D 322 344 GLU B Protein S 3 FT #SUB 258 280 LYS D 325 347 ALA B Protein B 1 FT #SUB 258 280 LYS D 326 348 LYS B Protein B 1 FT #SUB 259 281 ASN D 325 347 ALA B Protein A 5 FT #SUB 260 282 PRO D 326 348 LYS B Protein S 2 FT #HET 79 101 ARG D 7 500 HEM D S 6 FT #HET 85 107 PHE D 8 501 9PL D S 6 FT #HET 89 111 PHE D 8 501 9PL D S 2 FT #HET 94 116 VAL D 7 500 HEM D B 1 FT #HET 95 117 VAL D 7 500 HEM D A 4 FT #HET 95 117 VAL D 8 501 9PL D S 2 FT #HET 96 118 PHE D 8 501 9PL D S 2 FT #HET 106 128 ARG D 7 500 HEM D S 5 FT #HET 160 182 ILE D 7 500 HEM D S 1 FT #HET 187 209 PHE D 8 501 9PL D S 1 FT #HET 275 297 ASN D 8 501 9PL D A 10 FT #HET 276 298 LEU D 7 500 HEM D B 1 FT #HET 278 300 ILE D 8 501 9PL D A 3 FT #HET 279 301 GLY D 7 500 HEM D B 11 FT #HET 279 301 GLY D 8 501 9PL D B 10 FT #HET 280 302 GLY D 7 500 HEM D B 6 FT #HET 283 305 THR D 7 500 HEM D S 8 FT #HET 283 305 THR D 8 501 9PL D S 6 FT #HET 284 306 VAL D 7 500 HEM D A 3 FT #HET 287 309 THR D 7 500 HEM D S 1 FT #HET 338 360 GLN D 7 500 HEM D S 1 FT #HET 347 369 SER D 7 500 HEM D S 5 FT #HET 350 372 ARG D 7 500 HEM D S 7 FT #HET 373 395 LEU D 7 500 HEM D S 1 FT #HET 409 431 PRO D 7 500 HEM D B 3 FT #HET 410 432 PHE D 7 500 HEM D A 13 FT #HET 411 433 SER D 7 500 HEM D S 7 FT #HET 415 437 ARG D 7 500 HEM D A 18 FT #HET 416 438 ASN D 7 500 HEM D B 6 FT #HET 417 439 CYS D 7 500 HEM D A 19 FT #HET 418 440 PHE D 7 500 HEM D S 3 FT #HET 419 441 GLY D 7 500 HEM D B 5 FT #HET 423 445 ALA D 7 500 HEM D S 2 FT #HET 458 480 PHE D 8 501 9PL D S 2 FT DISORDER 1 9 FT DISORDER 474 476 CC SEQUENCE 464 AA (ATOM); CC KLPPGPTPLP FIGNYLQLNT EQMYNSLMKI SERYGPVFTI HLGPRRVVVL CGHDAVREAL CC VDQAEEFSGR GEQATFDWVF KGYGVVFSNG ERAKQLRRFS IATLRDFGVG KRGIEERIQE CC EAGFLIDALR GTGGANIDPT FFLSRTVSNV ISSIVFGDRF DYKDKEFLSL LRMMLGIFQF CC TSTSTGQLYE MFSSVMKHLP GPQQQAFQLL QGLEDFIAKK VEHNQRTLDP NSPRDFIDSF CC LIRMQEEEKN PNTEFYLKNL VMTTLNLFIG GTETVSTTLR YGFLLLMKHP EVEAKVHEEI CC DRVIGKNRQP KFEDRAKMPY MEAVIHEIQR FGDVIPMSLA RRVKKDTKFR DFFLPKGTEV CC YPMLGSVLRD PSFFSNPQDF NPQHFLNEKG QFKKSDAFVP FSIGKRNCFG EGLARMELFL CC FFTTVMQNFR LKSSQSPKDI DVSPKHVGFA TIPRNYTMSF LPRH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAKKTSSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ATOM ---------KLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIH CC ***************************************** CC SEQRES LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ATOM LGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGE CC ************************************************** CC SEQRES RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ATOM RAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTF CC ************************************************** CC SEQRES FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ATOM FLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEM CC ************************************************** CC SEQRES FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ATOM FSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFL CC ************************************************** CC SEQRES IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ATOM IRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPE CC ************************************************** CC SEQRES VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ATOM VEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLAR CC ************************************************** CC SEQRES RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ATOM RVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ CC ************************************************** CC SEQRES FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ATOM FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDID CC ************************************************** CC SEQRES VSPKHVGFATIPRNYTMSFLPRHHHH CC ATOM VSPKHVGFATIPRNYTMSFLPRH--- CC *********************** SQ SEQUENCE 476 AA; MW; CN; MAKKTSSKGK LPPGPTPLPF IGNYLQLNTE QMYNSLMKIS ERYGPVFTIH LGPRRVVVLC GHDAVREALV DQAEEFSGRG EQATFDWVFK GYGVVFSNGE RAKQLRRFSI ATLRDFGVGK RGIEERIQEE AGFLIDALRG TGGANIDPTF FLSRTVSNVI SSIVFGDRFD YKDKEFLSLL RMMLGIFQFT STSTGQLYEM FSSVMKHLPG PQQQAFQLLQ GLEDFIAKKV EHNQRTLDPN SPRDFIDSFL IRMQEEEKNP NTEFYLKNLV MTTLNLFIGG TETVSTTLRY GFLLLMKHPE VEAKVHEEID RVIGKNRQPK FEDRAKMPYM EAVIHEIQRF GDVIPMSLAR RVKKDTKFRD FFLPKGTEVY PMLGSVLRDP SFFSNPQDFN PQHFLNEKGQ FKKSDAFVPF SIGKRNCFGE GLARMELFLF FTTVMQNFRL KSSQSPKDID VSPKHVGFAT IPRNYTMSFL PRHHHH //