ID 4L77A STANDARD; PRT; 398 AA. DT CONVERTED FROM PDB (SEQRES) 4L77 DE P450cin OS Citrobacter braakii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.380 CC R-Factor 0.144 FT #SUB 270 276 ASP A 63 69 LYS B Protein S 6 FT #SUB 317 323 ASP A 90 96 PRO B Protein S 4 FT #SUB 317 323 ASP A 94 100 LYS B Protein S 6 FT #SUB 327 333 THR A 62 68 THR B Protein S 1 FT #SUB 327 333 THR A 89 95 ASP B Protein B 1 FT #SUB 328 334 PRO A 62 68 THR B Protein A 4 FT #SUB 328 334 PRO A 63 69 LYS B Protein A 7 FT #SUB 328 334 PRO A 89 95 ASP B Protein S 4 FT #SUB 329 335 ASN A 63 69 LYS B Protein B 2 FT #SUB 330 336 ARG A 62 68 THR B Protein S 1 FT #SUB 330 336 ARG A 63 69 LYS B Protein S 2 FT #SUB 330 336 ARG A 88 94 ASP B Protein S 5 FT #SUB 330 336 ARG A 286 292 THR B Protein S 1 FT #SUB 340 346 ARG A 287 293 GLN B Protein S 4 FT #HET 39 45 TRP A 3 503 PG4 A S 1 FT #HET 39 45 TRP A 4 504 PEG A S 8 FT #HET 44 50 GLY A 3 503 PG4 A B 2 FT #HET 45 51 GLY A 3 503 PG4 A B 1 FT #HET 67 73 ASN A 1 501 HEM A S 3 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 5 FT #HET 85 91 ALA A 1 501 HEM A A 4 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 228 234 ILE A 2 502 CNL A S 1 FT #HET 232 238 GLY A 1 501 HEM A B 9 FT #HET 232 238 GLY A 2 502 CNL A B 1 FT #HET 233 239 GLY A 1 501 HEM A B 5 FT #HET 236 242 ALA A 1 501 HEM A A 7 FT #HET 237 243 THR A 1 501 HEM A A 5 FT #HET 240 246 PHE A 1 501 HEM 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 279 285 ALA A 2 502 CNL A S 1 FT #HET 281 287 VAL A 1 501 HEM A S 5 FT #HET 283 289 ARG A 1 501 HEM A S 8 FT #HET 297 303 LYS A 3 503 PG4 A S 1 FT #HET 298 304 PRO A 3 503 PG4 A B 2 FT #HET 299 305 GLY A 3 503 PG4 A B 2 FT #HET 300 306 GLN A 3 503 PG4 A S 1 FT #HET 306 312 PHE A 1 501 HEM A S 1 FT #HET 333 339 SER A 1 501 HEM A B 3 FT #HET 334 340 LEU A 1 501 HEM A A 6 FT #HET 334 340 LEU A 5 505 SO4 A S 1 FT #HET 335 341 GLY A 1 501 HEM A B 2 FT #HET 338 344 ILE A 1 501 HEM A B 1 FT #HET 339 345 HIS A 1 501 HEM A A 20 FT #HET 340 346 ARG A 5 505 SO4 A S 8 FT #HET 341 347 CYS A 1 501 HEM A A 20 FT #HET 342 348 LEU A 1 501 HEM A A 7 FT #HET 343 349 GLY A 1 501 HEM A B 4 FT #HET 344 350 ALA A 5 505 SO4 A S 1 FT #HET 347 353 ILE A 1 501 HEM A S 2 FT #HET 348 354 ARG A 5 505 SO4 A S 9 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 GGIDATARFL 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 NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDATARFLSSVFWRLAW CC ATOM NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDATARFLSSVFWRLAW 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 LGGIDATARF LSSVFWRLAW DIELRRRLIA HPELIPNAVD ELLRFYGPAM VGRLVTQEVT VGDITMKPGQ TAMLWFPIAS RDRSAFDSPD NIVIERTPNR HLSLGHGIHR CLGAHLIRVE ARVAITEFLK RIPEFSLDPN KECEWLMGQV AGMLHVPIIF PKGKRLSE // ID 4L77B STANDARD; PRT; 398 AA. DT CONVERTED FROM PDB (SEQRES) 4L77 DE P450cin OS Citrobacter braakii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.380 CC R-Factor 0.144 FT #SUB 62 68 THR B 327 333 THR A Protein S 1 FT #SUB 62 68 THR B 328 334 PRO A Protein A 4 FT #SUB 62 68 THR B 330 336 ARG A Protein B 1 FT #SUB 63 69 LYS B 270 276 ASP A Protein S 6 FT #SUB 63 69 LYS B 328 334 PRO A Protein A 7 FT #SUB 63 69 LYS B 329 335 ASN A Protein S 2 FT #SUB 63 69 LYS B 330 336 ARG A Protein B 2 FT #SUB 88 94 ASP B 330 336 ARG A Protein S 5 FT #SUB 89 95 ASP B 327 333 THR A Protein S 1 FT #SUB 89 95 ASP B 328 334 PRO A Protein A 4 FT #SUB 90 96 PRO B 317 323 ASP A Protein S 4 FT #SUB 94 100 LYS B 317 323 ASP A Protein S 6 FT #SUB 286 292 THR B 330 336 ARG A Protein S 1 FT #SUB 287 293 GLN B 340 346 ARG A Protein S 4 FT #HET 39 45 TRP B 8 503 PG4 B S 2 FT #HET 39 45 TRP B 9 504 PEG B S 8 FT #HET 44 50 GLY B 8 503 PG4 B B 2 FT #HET 45 51 GLY B 8 503 PG4 B B 1 FT #HET 47 53 TRP B 9 504 PEG B S 3 FT #HET 63 69 LYS B 5 505 SO4 A S 1 FT #HET 67 73 ASN B 6 501 HEM B S 3 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 1 FT #HET 84 90 MET B 6 501 HEM B A 5 FT #HET 85 91 ALA B 6 501 HEM B A 3 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 228 234 ILE B 7 502 CNL B S 1 FT #HET 232 238 GLY B 6 501 HEM B B 10 FT #HET 232 238 GLY B 7 502 CNL B B 1 FT #HET 233 239 GLY B 6 501 HEM B B 5 FT #HET 236 242 ALA B 6 501 HEM B A 8 FT #HET 237 243 THR B 6 501 HEM B A 6 FT #HET 240 246 PHE B 6 501 HEM B S 1 FT #HET 278 284 PRO B 6 501 HEM B S 1 FT #HET 279 285 ALA B 7 502 CNL B S 1 FT #HET 281 287 VAL B 6 501 HEM B S 6 FT #HET 283 289 ARG B 6 501 HEM B S 8 FT #HET 287 293 GLN B 5 505 SO4 A S 4 FT #HET 297 303 LYS B 8 503 PG4 B S 1 FT #HET 298 304 PRO B 8 503 PG4 B B 1 FT #HET 299 305 GLY B 8 503 PG4 B B 2 FT #HET 300 306 GLN B 8 503 PG4 B S 1 FT #HET 300 306 GLN B 9 504 PEG B S 1 FT #HET 306 312 PHE B 6 501 HEM B S 1 FT #HET 333 339 SER B 6 501 HEM B B 3 FT #HET 334 340 LEU B 6 501 HEM B A 5 FT #HET 335 341 GLY B 6 501 HEM B B 1 FT #HET 338 344 ILE B 6 501 HEM B B 1 FT #HET 339 345 HIS B 6 501 HEM B A 18 FT #HET 341 347 CYS B 6 501 HEM B A 19 FT #HET 342 348 LEU B 6 501 HEM B A 7 FT #HET 343 349 GLY B 6 501 HEM B B 4 FT #HET 347 353 ILE B 6 501 HEM B S 2 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 GGIDATARFL 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 NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDATARFLSSVFWRLAW CC ATOM NDIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDATARFLSSVFWRLAW 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 LGGIDATARF LSSVFWRLAW DIELRRRLIA HPELIPNAVD ELLRFYGPAM VGRLVTQEVT VGDITMKPGQ TAMLWFPIAS RDRSAFDSPD NIVIERTPNR HLSLGHGIHR CLGAHLIRVE ARVAITEFLK RIPEFSLDPN KECEWLMGQV AGMLHVPIIF PKGKRLSE //