ID 5L91A STANDARD; PRT; 410 AA. DT CONVERTED FROM PDB (SEQRES) 5L91 DE Cytochrome P450 OS Bacillus megaterium (strain DSM 319) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 60 60 GLU A 406 406 HIS B Protein A 15 FT #SUB 61 61 GLN A 406 406 HIS B Protein S 2 FT #SUB 96 96 ARG A 128 128 HIS B Protein S 6 FT #SUB 100 100 ASN A 128 128 HIS B Protein S 2 FT #SUB 100 100 ASN A 129 129 LEU B Protein A 3 FT #SUB 103 103 PHE A 128 128 HIS B Protein A 5 FT #SUB 103 103 PHE A 129 129 LEU B Protein B 1 FT #SUB 105 105 PRO A 126 126 VAL B Protein S 1 FT #SUB 105 105 PRO A 137 137 HIS B Protein S 3 FT #SUB 106 106 LYS A 136 136 GLU B Protein A 6 FT #SUB 109 109 LYS A 159 159 ARG B Protein A 8 FT #SUB 109 109 LYS A 163 163 ASP B Protein S 1 FT #SUB 113 113 PRO A 159 159 ARG B Protein S 2 FT #SUB 276 276 PRO A 121 121 GLU B Protein S 2 FT #SUB 280 280 GLU A 124 124 GLN B Protein S 4 FT #SUB 351 351 PHE A 127 127 GLU B Protein S 6 FT #SUB 351 351 PHE A 128 128 HIS B Protein S 2 FT #SUB 352 352 CYS A 128 128 HIS B Protein B 1 FT #SUB 353 353 LEU A 128 128 HIS B Protein B 4 FT #SUB 356 356 PRO A 125 125 GLU B Protein S 1 FT #SUB 356 356 PRO A 128 128 HIS B Protein S 3 FT #SUB 359 359 ARG A 124 124 GLN B Protein S 5 FT #SUB 359 359 ARG A 127 127 GLU B Protein S 1 FT #HET 44 44 ARG A 4 504 C0R A A 6 FT #HET 46 46 VAL A 4 504 C0R A S 1 FT #HET 69 69 ARG A 1 501 HEM A S 1 FT #HET 69 69 ARG A 3 503 C0R A A 5 FT #HET 69 69 ARG A 4 504 C0R A S 3 FT #HET 71 71 PRO A 3 503 C0R A S 1 FT #HET 75 75 GLN A 3 503 C0R A S 3 FT #HET 76 76 ARG A 5 505 C0R A S 10 FT #HET 78 78 THR A 5 505 C0R A S 2 FT #HET 80 80 LEU A 3 503 C0R A S 4 FT #HET 84 84 LEU A 1 501 HEM A A 11 FT #HET 85 85 ILE A 1 501 HEM A A 6 FT #HET 85 85 ILE A 2 502 C0R A S 2 FT #HET 85 85 ILE A 3 503 C0R A S 2 FT #HET 86 86 ASN A 3 503 C0R A S 12 FT #HET 92 92 HIS A 1 501 HEM A S 5 FT #HET 96 96 ARG A 1 501 HEM A S 5 FT #HET 147 147 ILE A 1 501 HEM A S 1 FT #HET 168 168 ILE A 2 502 C0R A B 3 FT #HET 168 168 ILE A 5 505 C0R A B 1 FT #HET 169 169 VAL A 2 502 C0R A A 3 FT #HET 184 184 GLN A 5 505 C0R A S 2 FT #HET 187 187 LYS A 2 502 C0R A S 2 FT #HET 187 187 LYS A 5 505 C0R A S 1 FT #HET 188 188 MET A 5 505 C0R A A 4 FT #HET 191 191 ASN A 5 505 C0R A S 3 FT #HET 238 238 LEU A 1 501 HEM A S 1 FT #HET 239 239 LEU A 1 501 HEM A S 2 FT #HET 241 241 ILE A 2 502 C0R A A 4 FT #HET 241 241 ILE A 3 503 C0R A S 3 FT #HET 241 241 ILE A 5 505 C0R A S 1 FT #HET 242 242 ALA A 1 501 HEM A A 8 FT #HET 242 242 ALA A 2 502 C0R A S 1 FT #HET 243 243 GLY A 1 501 HEM A B 7 FT #HET 245 245 GLU A 2 502 C0R A S 2 FT #HET 246 246 THR A 1 501 HEM A A 11 FT #HET 246 246 THR A 2 502 C0R A S 1 FT #HET 247 247 THR A 1 501 HEM A A 5 FT #HET 250 250 LEU A 1 501 HEM A S 2 FT #HET 289 289 VAL A 1 501 HEM A S 2 FT #HET 289 289 VAL A 2 502 C0R A S 4 FT #HET 292 292 LEU A 1 501 HEM A S 4 FT #HET 292 292 LEU A 2 502 C0R A S 1 FT #HET 292 292 LEU A 4 504 C0R A A 4 FT #HET 293 293 HIS A 4 504 C0R A A 12 FT #HET 294 294 ARG A 1 501 HEM A S 8 FT #HET 312 312 HIS A 4 504 C0R A S 2 FT #HET 317 317 MET A 1 501 HEM A S 1 FT #HET 344 344 ALA A 1 501 HEM A B 3 FT #HET 345 345 PHE A 1 501 HEM A A 16 FT #HET 346 346 GLY A 1 501 HEM A B 3 FT #HET 349 349 ILE A 1 501 HEM A B 1 FT #HET 350 350 HIS A 1 501 HEM A A 17 FT #HET 352 352 CYS A 1 501 HEM A A 28 FT #HET 353 353 LEU A 1 501 HEM A S 2 FT #HET 354 354 GLY A 1 501 HEM A B 8 FT #HET 357 357 LEU A 1 501 HEM A S 1 FT #HET 358 358 ALA A 1 501 HEM A S 3 FT #HET 391 391 PHE A 4 504 C0R A S 7 FT #HET 392 392 VAL A 2 502 C0R A S 3 FT DISORDER 1 16 FT DISORDER 408 410 CC SEQUENCE 391 AA (ATOM); CC QTKEERFNPF SWYEEMRNTA PVQWDEERQV WDVFHYDGVK EVLEQKNIFS SDRRPPQNQR CC QTALGTSLIN IDPPKHAEMR ALVNKAFTPK AMKAWEPKIA RITNELLQEV EHLEDIDIVE CC HLSYPLPVMV IADILGVPIE DQRQFKDWSD IIVAGPSNNE RETLEKLQQE KMKANDELET CC YFYRIIEEKR TRPGDDIISV LLQAKEEGKQ LTDEEIVGFS ILLLIAGNET TTNLISNTIY CC CLMEDKASFE RLKREKELLP SGIEEVLRYR SPVQALHRIV KEDVTLAGKK LKAGEHVVPW CC MGSAHRDAEY FEDPEVFKID RKPNVHMAFG RGIHFCLGAP LARIEAKIML AELIDRYPQM CC DWSPSFELKP IESTFVYGLK ELLIRKNVHH H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKTERENGIVRQVNTIQTKEERFNPFSWYEEMRNTAPVQWDEERQVWDVF CC ATOM ----------------QTKEERFNPFSWYEEMRNTAPVQWDEERQVWDVF CC ********************************** CC SEQRES HYDGVKEVLEQKNIFSSDRRPPQNQRQTALGTSLINIDPPKHAEMRALVN CC ATOM HYDGVKEVLEQKNIFSSDRRPPQNQRQTALGTSLINIDPPKHAEMRALVN CC ************************************************** CC SEQRES KAFTPKAMKAWEPKIARITNELLQEVEHLEDIDIVEHLSYPLPVMVIADI CC ATOM KAFTPKAMKAWEPKIARITNELLQEVEHLEDIDIVEHLSYPLPVMVIADI CC ************************************************** CC SEQRES LGVPIEDQRQFKDWSDIIVAGPSNNERETLEKLQQEKMKANDELETYFYR CC ATOM LGVPIEDQRQFKDWSDIIVAGPSNNERETLEKLQQEKMKANDELETYFYR CC ************************************************** CC SEQRES IIEEKRTRPGDDIISVLLQAKEEGKQLTDEEIVGFSILLLIAGNETTTNL CC ATOM IIEEKRTRPGDDIISVLLQAKEEGKQLTDEEIVGFSILLLIAGNETTTNL CC ************************************************** CC SEQRES ISNTIYCLMEDKASFERLKREKELLPSGIEEVLRYRSPVQALHRIVKEDV CC ATOM ISNTIYCLMEDKASFERLKREKELLPSGIEEVLRYRSPVQALHRIVKEDV CC ************************************************** CC SEQRES TLAGKKLKAGEHVVPWMGSAHRDAEYFEDPEVFKIDRKPNVHMAFGRGIH CC ATOM TLAGKKLKAGEHVVPWMGSAHRDAEYFEDPEVFKIDRKPNVHMAFGRGIH CC ************************************************** CC SEQRES FCLGAPLARIEAKIMLAELIDRYPQMDWSPSFELKPIESTFVYGLKELLI CC ATOM FCLGAPLARIEAKIMLAELIDRYPQMDWSPSFELKPIESTFVYGLKELLI CC ************************************************** CC SEQRES RKNVHHHHHH CC ATOM RKNVHHH--- CC ******* SQ SEQUENCE 410 AA; MW; CN; MKTERENGIV RQVNTIQTKE ERFNPFSWYE EMRNTAPVQW DEERQVWDVF HYDGVKEVLE QKNIFSSDRR PPQNQRQTAL GTSLINIDPP KHAEMRALVN KAFTPKAMKA WEPKIARITN ELLQEVEHLE DIDIVEHLSY PLPVMVIADI LGVPIEDQRQ FKDWSDIIVA GPSNNERETL EKLQQEKMKA NDELETYFYR IIEEKRTRPG DDIISVLLQA KEEGKQLTDE EIVGFSILLL IAGNETTTNL ISNTIYCLME DKASFERLKR EKELLPSGIE EVLRYRSPVQ ALHRIVKEDV TLAGKKLKAG EHVVPWMGSA HRDAEYFEDP EVFKIDRKPN VHMAFGRGIH FCLGAPLARI EAKIMLAELI DRYPQMDWSP SFELKPIEST FVYGLKELLI RKNVHHHHHH // ID 5L91B STANDARD; PRT; 410 AA. DT CONVERTED FROM PDB (SEQRES) 5L91 DE Cytochrome P450 OS Bacillus megaterium (strain DSM 319) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 121 121 GLU B 276 276 PRO A Protein S 2 FT #SUB 124 124 GLN B 280 280 GLU A Protein S 4 FT #SUB 124 124 GLN B 359 359 ARG A Protein S 5 FT #SUB 125 125 GLU B 356 356 PRO A Protein B 1 FT #SUB 126 126 VAL B 105 105 PRO A Protein S 1 FT #SUB 127 127 GLU B 351 351 PHE A Protein S 6 FT #SUB 127 127 GLU B 359 359 ARG A Protein S 1 FT #SUB 128 128 HIS B 96 96 ARG A Protein A 6 FT #SUB 128 128 HIS B 100 100 ASN A Protein B 2 FT #SUB 128 128 HIS B 103 103 PHE A Protein S 5 FT #SUB 128 128 HIS B 351 351 PHE A Protein A 2 FT #SUB 128 128 HIS B 352 352 CYS A Protein S 1 FT #SUB 128 128 HIS B 353 353 LEU A Protein S 4 FT #SUB 128 128 HIS B 356 356 PRO A Protein S 3 FT #SUB 129 129 LEU B 100 100 ASN A Protein S 3 FT #SUB 129 129 LEU B 103 103 PHE A Protein S 1 FT #SUB 136 136 GLU B 106 106 LYS A Protein S 6 FT #SUB 137 137 HIS B 105 105 PRO A Protein S 3 FT #SUB 159 159 ARG B 109 109 LYS A Protein S 8 FT #SUB 159 159 ARG B 113 113 PRO A Protein S 2 FT #SUB 163 163 ASP B 109 109 LYS A Protein S 1 FT #SUB 406 406 HIS B 60 60 GLU A Protein S 15 FT #SUB 406 406 HIS B 61 61 GLN A Protein A 2 FT #HET 44 44 ARG B 9 504 C0R B B 2 FT #HET 46 46 VAL B 9 504 C0R B S 2 FT #HET 69 69 ARG B 6 501 HEM B S 1 FT #HET 69 69 ARG B 8 503 C0R B A 7 FT #HET 69 69 ARG B 9 504 C0R B S 3 FT #HET 71 71 PRO B 8 503 C0R B S 1 FT #HET 75 75 GLN B 8 503 C0R B S 5 FT #HET 76 76 ARG B 10 505 C0R B S 12 FT #HET 78 78 THR B 10 505 C0R B S 2 FT #HET 80 80 LEU B 8 503 C0R B A 7 FT #HET 80 80 LEU B 10 505 C0R B S 1 FT #HET 81 81 GLY B 8 503 C0R B B 2 FT #HET 84 84 LEU B 6 501 HEM B A 9 FT #HET 85 85 ILE B 6 501 HEM B A 5 FT #HET 85 85 ILE B 7 502 C0R B S 2 FT #HET 85 85 ILE B 8 503 C0R B S 3 FT #HET 86 86 ASN B 8 503 C0R B S 16 FT #HET 92 92 HIS B 6 501 HEM B S 5 FT #HET 96 96 ARG B 6 501 HEM B S 5 FT #HET 147 147 ILE B 6 501 HEM B S 1 FT #HET 168 168 ILE B 7 502 C0R B B 3 FT #HET 169 169 VAL B 7 502 C0R B A 4 FT #HET 184 184 GLN B 10 505 C0R B S 1 FT #HET 187 187 LYS B 7 502 C0R B S 1 FT #HET 187 187 LYS B 10 505 C0R B S 1 FT #HET 188 188 MET B 10 505 C0R B A 4 FT #HET 191 191 ASN B 10 505 C0R B S 3 FT #HET 235 235 PHE B 6 501 HEM B S 1 FT #HET 238 238 LEU B 6 501 HEM B S 1 FT #HET 239 239 LEU B 6 501 HEM B A 4 FT #HET 241 241 ILE B 7 502 C0R B B 3 FT #HET 241 241 ILE B 8 503 C0R B S 1 FT #HET 241 241 ILE B 10 505 C0R B S 1 FT #HET 242 242 ALA B 6 501 HEM B A 6 FT #HET 243 243 GLY B 6 501 HEM B B 6 FT #HET 245 245 GLU B 7 502 C0R B S 2 FT #HET 246 246 THR B 6 501 HEM B A 12 FT #HET 246 246 THR B 7 502 C0R B S 1 FT #HET 247 247 THR B 6 501 HEM B A 7 FT #HET 250 250 LEU B 6 501 HEM B S 2 FT #HET 289 289 VAL B 6 501 HEM B S 1 FT #HET 289 289 VAL B 7 502 C0R B S 4 FT #HET 292 292 LEU B 6 501 HEM B S 6 FT #HET 292 292 LEU B 7 502 C0R B S 1 FT #HET 292 292 LEU B 9 504 C0R B A 4 FT #HET 293 293 HIS B 9 504 C0R B A 6 FT #HET 294 294 ARG B 6 501 HEM B S 8 FT #HET 312 312 HIS B 9 504 C0R B S 4 FT #HET 344 344 ALA B 6 501 HEM B B 3 FT #HET 345 345 PHE B 6 501 HEM B A 12 FT #HET 346 346 GLY B 6 501 HEM B B 3 FT #HET 349 349 ILE B 6 501 HEM B B 1 FT #HET 350 350 HIS B 6 501 HEM B A 15 FT #HET 352 352 CYS B 6 501 HEM B A 25 FT #HET 354 354 GLY B 6 501 HEM B B 9 FT #HET 357 357 LEU B 6 501 HEM B S 1 FT #HET 358 358 ALA B 6 501 HEM B S 3 FT #HET 391 391 PHE B 7 502 C0R B S 1 FT #HET 391 391 PHE B 9 504 C0R B S 12 FT #HET 392 392 VAL B 7 502 C0R B S 4 FT DISORDER 1 17 FT DISORDER 407 410 CC SEQUENCE 389 AA (ATOM); CC TKEERFNPFS WYEEMRNTAP VQWDEERQVW DVFHYDGVKE VLEQKNIFSS DRRPPQNQRQ CC TALGTSLINI DPPKHAEMRA LVNKAFTPKA MKAWEPKIAR ITNELLQEVE HLEDIDIVEH CC LSYPLPVMVI ADILGVPIED QRQFKDWSDI IVAGPSNNER ETLEKLQQEK MKANDELETY CC FYRIIEEKRT RPGDDIISVL LQAKEEGKQL TDEEIVGFSI LLLIAGNETT TNLISNTIYC CC LMEDKASFER LKREKELLPS GIEEVLRYRS PVQALHRIVK EDVTLAGKKL KAGEHVVPWM CC GSAHRDAEYF EDPEVFKIDR KPNVHMAFGR GIHFCLGAPL ARIEAKIMLA ELIDRYPQMD CC WSPSFELKPI ESTFVYGLKE LLIRKNVHH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKTERENGIVRQVNTIQTKEERFNPFSWYEEMRNTAPVQWDEERQVWDVF CC ATOM -----------------TKEERFNPFSWYEEMRNTAPVQWDEERQVWDVF CC ********************************* CC SEQRES HYDGVKEVLEQKNIFSSDRRPPQNQRQTALGTSLINIDPPKHAEMRALVN CC ATOM HYDGVKEVLEQKNIFSSDRRPPQNQRQTALGTSLINIDPPKHAEMRALVN CC ************************************************** CC SEQRES KAFTPKAMKAWEPKIARITNELLQEVEHLEDIDIVEHLSYPLPVMVIADI CC ATOM KAFTPKAMKAWEPKIARITNELLQEVEHLEDIDIVEHLSYPLPVMVIADI CC ************************************************** CC SEQRES LGVPIEDQRQFKDWSDIIVAGPSNNERETLEKLQQEKMKANDELETYFYR CC ATOM LGVPIEDQRQFKDWSDIIVAGPSNNERETLEKLQQEKMKANDELETYFYR CC ************************************************** CC SEQRES IIEEKRTRPGDDIISVLLQAKEEGKQLTDEEIVGFSILLLIAGNETTTNL CC ATOM IIEEKRTRPGDDIISVLLQAKEEGKQLTDEEIVGFSILLLIAGNETTTNL CC ************************************************** CC SEQRES ISNTIYCLMEDKASFERLKREKELLPSGIEEVLRYRSPVQALHRIVKEDV CC ATOM ISNTIYCLMEDKASFERLKREKELLPSGIEEVLRYRSPVQALHRIVKEDV CC ************************************************** CC SEQRES TLAGKKLKAGEHVVPWMGSAHRDAEYFEDPEVFKIDRKPNVHMAFGRGIH CC ATOM TLAGKKLKAGEHVVPWMGSAHRDAEYFEDPEVFKIDRKPNVHMAFGRGIH CC ************************************************** CC SEQRES FCLGAPLARIEAKIMLAELIDRYPQMDWSPSFELKPIESTFVYGLKELLI CC ATOM FCLGAPLARIEAKIMLAELIDRYPQMDWSPSFELKPIESTFVYGLKELLI CC ************************************************** CC SEQRES RKNVHHHHHH CC ATOM RKNVHH---- CC ****** SQ SEQUENCE 410 AA; MW; CN; MKTERENGIV RQVNTIQTKE ERFNPFSWYE EMRNTAPVQW DEERQVWDVF HYDGVKEVLE QKNIFSSDRR PPQNQRQTAL GTSLINIDPP KHAEMRALVN KAFTPKAMKA WEPKIARITN ELLQEVEHLE DIDIVEHLSY PLPVMVIADI LGVPIEDQRQ FKDWSDIIVA GPSNNERETL EKLQQEKMKA NDELETYFYR IIEEKRTRPG DDIISVLLQA KEEGKQLTDE EIVGFSILLL IAGNETTTNL ISNTIYCLME DKASFERLKR EKELLPSGIE EVLRYRSPVQ ALHRIVKEDV TLAGKKLKAG EHVVPWMGSA HRDAEYFEDP EVFKIDRKPN VHMAFGRGIH FCLGAPLARI EAKIMLAELI DRYPQMDWSP SFELKPIEST FVYGLKELLI RKNVHHHHHH //