ID 4FMXA STANDARD; PRT; 398 AA. DT CONVERTED FROM PDB (SEQRES) 4FMX DE P450cin OS Citrobacter braakii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.550 CC R-Factor 0.177 FT #SUB 109 115 ASP A 110 116 LEU B Protein B 2 FT #SUB 110 116 LEU A 109 115 ASP B Protein S 2 FT #SUB 110 116 LEU A 110 116 LEU B Protein S 2 FT #SUB 114 120 GLN A 113 119 GLU B Protein S 1 FT #SUB 201 207 ASN A 116 122 ARG B Protein S 1 FT #HET 67 73 ASN A 1 501 HEM A S 1 FT #HET 70 76 VAL A 1 501 HEM A S 1 FT #HET 71 77 THR A 2 502 CNL A S 1 FT #HET 75 81 TYR A 2 502 CNL A S 3 FT #HET 84 90 MET A 1 501 HEM A A 6 FT #HET 85 91 ALA A 1 501 HEM A A 5 FT #HET 85 91 ALA A 2 502 CNL A S 1 FT #HET 92 98 HIS A 1 501 HEM A S 7 FT #HET 96 102 ARG A 1 501 HEM A S 6 FT #HET 103 109 PHE A 1 501 HEM A S 3 FT #HET 150 156 LEU A 1 501 HEM A S 1 FT #HET 228 234 ILE A 1 501 HEM A S 3 FT #HET 229 235 LEU A 1 501 HEM A A 4 FT #HET 232 238 GLY A 1 501 HEM A B 14 FT #HET 232 238 GLY A 2 502 CNL A B 2 FT #HET 233 239 GLY A 1 501 HEM A B 1 FT #HET 236 242 ASN A 1 501 HEM A A 14 FT #HET 236 242 ASN A 2 502 CNL A S 7 FT #HET 237 243 THR A 1 501 HEM A A 11 FT #HET 240 246 PHE A 1 501 HEM A S 3 FT #HET 247 253 ARG A 4 504 GOL A S 1 FT #HET 247 253 ARG A 5 505 GOL A S 2 FT #HET 250 256 TRP A 5 505 GOL A S 2 FT #HET 251 257 ASP A 4 504 GOL A S 9 FT #HET 251 257 ASP A 5 505 GOL A S 1 FT #HET 253 259 GLU A 4 504 GOL A S 7 FT #HET 254 260 LEU A 4 504 GOL A S 1 FT #HET 257 263 ARG A 4 504 GOL A S 1 FT #HET 278 284 PRO A 1 501 HEM A S 1 FT #HET 279 285 ALA A 1 501 HEM A S 1 FT #HET 280 286 MET A 2 502 CNL A B 1 FT #HET 281 287 VAL A 1 501 HEM A S 7 FT #HET 281 287 VAL A 2 502 CNL A S 1 FT #HET 283 289 ARG A 1 501 HEM A S 8 FT #HET 306 312 PHE A 1 501 HEM A S 1 FT #HET 321 327 ASN A 5 505 GOL A S 1 FT #HET 322 328 ILE A 4 504 GOL A A 5 FT #HET 333 339 SER A 1 501 HEM A B 5 FT #HET 334 340 LEU A 1 501 HEM A A 8 FT #HET 335 341 GLY A 1 501 HEM A B 1 FT #HET 338 344 ILE A 1 501 HEM A B 1 FT #HET 339 345 HIS A 1 501 HEM A A 21 FT #HET 340 346 ARG A 3 503 SO4 A S 8 FT #HET 341 347 CYS A 1 501 HEM A A 22 FT #HET 342 348 LEU A 1 501 HEM A A 7 FT #HET 343 349 GLY A 1 501 HEM A B 1 FT #HET 344 350 ALA A 3 503 SO4 A S 1 FT #HET 345 351 HIS A 3 503 SO4 A A 5 FT #HET 347 353 ILE A 1 501 HEM A S 5 FT #HET 348 354 ARG A 3 503 SO4 A S 4 FT #HET 380 386 VAL A 2 502 CNL A S 1 FT DISORDER 1 1 CC SEQUENCE 397 AA (ATOM); CC TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG YKEIQAVIQN CC TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK PFSPEATDLF TEQLRQSTND CC LIDARIELGE GDAATWLANE IPARLTAILL GLPPEDGDTY RRWVWAITHV ENPEEGAEIF CC AELVAHARTL IAERRTNPGN DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL CC SSVFWRLAWD IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT CC AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA RVAITEFLKR CC IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVA CC ATOM -TSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVA CC ************************************************* CC SEQRES GYKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVA CC ATOM GYKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVA CC ************************************************** CC SEQRES KPFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAIL CC ATOM KPFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAIL CC ************************************************** CC SEQRES LGLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPG CC ATOM LGLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPG CC ************************************************** CC SEQRES NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAW CC ATOM NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAW CC ************************************************** CC SEQRES DIELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQ CC ATOM DIELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQ CC ************************************************** CC SEQRES TAMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVE CC ATOM TAMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVE CC ************************************************** CC SEQRES ARVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC ATOM ARVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC ************************************************ SQ SEQUENCE 398 AA; MW; CN; MTSLFTTADH YHTPLGPDGT PHAFFEALRD EAETTPIGWS EAYGGHWVVA GYKEIQAVIQ NTKAFSNKGV TFPRYETGEF ELMMAGQDDP VHKKYRQLVA KPFSPEATDL FTEQLRQSTN DLIDARIELG EGDAATWLAN EIPARLTAIL LGLPPEDGDT YRRWVWAITH VENPEEGAEI FAELVAHART LIAERRTNPG NDIMSRVIMS KIDGESLSED DLIGFFTILL LGGIDNTARF LSSVFWRLAW DIELRRRLIA HPELIPNAVD ELLRFYGPAM VGRLVTQEVT VGDITMKPGQ TAMLWFPIAS RDRSAFDSPD NIVIERTPNR HLSLGHGIHR CLGAHLIRVE ARVAITEFLK RIPEFSLDPN KECEWLMGQV AGMLHVPIIF PKGKRLSE // ID 4FMXB STANDARD; PRT; 398 AA. DT CONVERTED FROM PDB (SEQRES) 4FMX DE P450cin OS Citrobacter braakii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.550 CC R-Factor 0.177 FT #SUB 109 115 ASP B 110 116 LEU A Protein B 2 FT #SUB 110 116 LEU B 109 115 ASP A Protein S 2 FT #SUB 110 116 LEU B 110 116 LEU A Protein B 2 FT #SUB 113 119 GLU B 114 120 GLN A Protein S 1 FT #SUB 116 122 ARG B 201 207 ASN A Protein S 1 FT #HET 67 73 ASN B 6 501 HEM B S 1 FT #HET 70 76 VAL B 6 501 HEM B S 1 FT #HET 71 77 THR B 7 502 CNL B S 1 FT #HET 75 81 TYR B 7 502 CNL B S 3 FT #HET 84 90 MET B 6 501 HEM B A 6 FT #HET 85 91 ALA B 6 501 HEM B A 5 FT #HET 85 91 ALA B 7 502 CNL B S 1 FT #HET 92 98 HIS B 6 501 HEM B S 7 FT #HET 96 102 ARG B 6 501 HEM B S 5 FT #HET 103 109 PHE B 6 501 HEM B S 4 FT #HET 150 156 LEU B 6 501 HEM B S 1 FT #HET 228 234 ILE B 6 501 HEM B S 2 FT #HET 229 235 LEU B 6 501 HEM B S 3 FT #HET 231 237 LEU B 7 502 CNL B S 1 FT #HET 232 238 GLY B 6 501 HEM B B 14 FT #HET 232 238 GLY B 7 502 CNL B B 2 FT #HET 233 239 GLY B 6 501 HEM B B 1 FT #HET 236 242 ASN B 6 501 HEM B A 14 FT #HET 236 242 ASN B 7 502 CNL B S 6 FT #HET 237 243 THR B 6 501 HEM B A 11 FT #HET 240 246 PHE B 6 501 HEM B S 3 FT #HET 266 272 PRO B 9 504 GOL B A 6 FT #HET 269 275 VAL B 9 504 GOL B S 3 FT #HET 278 284 PRO B 6 501 HEM B S 1 FT #HET 279 285 ALA B 6 501 HEM B S 1 FT #HET 280 286 MET B 7 502 CNL B B 1 FT #HET 281 287 VAL B 6 501 HEM B S 6 FT #HET 281 287 VAL B 7 502 CNL B S 1 FT #HET 283 289 ARG B 6 501 HEM B S 8 FT #HET 306 312 PHE B 6 501 HEM B S 1 FT #HET 333 339 SER B 6 501 HEM B B 5 FT #HET 334 340 LEU B 6 501 HEM B A 7 FT #HET 335 341 GLY B 6 501 HEM B B 2 FT #HET 338 344 ILE B 6 501 HEM B B 1 FT #HET 339 345 HIS B 6 501 HEM B A 20 FT #HET 340 346 ARG B 8 503 SO4 B S 8 FT #HET 341 347 CYS B 6 501 HEM B A 21 FT #HET 342 348 LEU B 6 501 HEM B A 8 FT #HET 343 349 GLY B 6 501 HEM B B 1 FT #HET 344 350 ALA B 8 503 SO4 B S 1 FT #HET 345 351 HIS B 8 503 SO4 B A 5 FT #HET 347 353 ILE B 6 501 HEM B S 5 FT #HET 348 354 ARG B 8 503 SO4 B S 4 FT #HET 348 354 ARG B 9 504 GOL B A 7 FT #HET 352 358 ARG B 9 504 GOL B S 6 FT #HET 380 386 VAL B 7 502 CNL B S 1 FT DISORDER 1 1 CC SEQUENCE 397 AA (ATOM); CC TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG YKEIQAVIQN CC TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK PFSPEATDLF TEQLRQSTND CC LIDARIELGE GDAATWLANE IPARLTAILL GLPPEDGDTY RRWVWAITHV ENPEEGAEIF CC AELVAHARTL IAERRTNPGN DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL CC SSVFWRLAWD IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT CC AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA RVAITEFLKR CC IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVA CC ATOM -TSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVA CC ************************************************* CC SEQRES GYKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVA CC ATOM GYKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVA CC ************************************************** CC SEQRES KPFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAIL CC ATOM KPFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAIL CC ************************************************** CC SEQRES LGLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPG CC ATOM LGLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPG CC ************************************************** CC SEQRES NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAW CC ATOM NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAW CC ************************************************** CC SEQRES DIELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQ CC ATOM DIELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQ CC ************************************************** CC SEQRES TAMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVE CC ATOM TAMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVE CC ************************************************** CC SEQRES ARVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC ATOM ARVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC ************************************************ SQ SEQUENCE 398 AA; MW; CN; MTSLFTTADH YHTPLGPDGT PHAFFEALRD EAETTPIGWS EAYGGHWVVA GYKEIQAVIQ NTKAFSNKGV TFPRYETGEF ELMMAGQDDP VHKKYRQLVA KPFSPEATDL FTEQLRQSTN DLIDARIELG EGDAATWLAN EIPARLTAIL LGLPPEDGDT YRRWVWAITH VENPEEGAEI FAELVAHART LIAERRTNPG NDIMSRVIMS KIDGESLSED DLIGFFTILL LGGIDNTARF LSSVFWRLAW DIELRRRLIA HPELIPNAVD ELLRFYGPAM VGRLVTQEVT VGDITMKPGQ TAMLWFPIAS RDRSAFDSPD NIVIERTPNR HLSLGHGIHR CLGAHLIRVE ARVAITEFLK RIPEFSLDPN KECEWLMGQV AGMLHVPIIF PKGKRLSE //