ID 3OFTA STANDARD; PRT; 396 AA. DT CONVERTED FROM PDB (SEQRES) 3OFT DE Cytochrome P450 OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.900 CC R-Factor 0.177 FT #SUB 23 23 GLU A 165 165 GLN B Protein S 4 FT #SUB 23 23 GLU A 169 169 GLN B Protein S 3 FT #SUB 378 378 THR A 166 166 LEU B Protein S 1 FT #SUB 166 166 LEU A 216 216 GLY C Protein S 2 FT #SUB 169 169 GLN A 212 212 GLU C Protein S 2 FT #SUB 176 176 SER A 108 108 ARG C Protein A 7 FT #SUB 177 177 MET A 103 103 LYS C Protein S 1 FT #SUB 177 177 MET A 108 108 ARG C Protein B 2 FT #SUB 178 178 THR A 108 108 ARG C Protein S 3 FT #SUB 181 181 GLN A 108 108 ARG C Protein S 2 FT #HET 61 61 TRP A 1 417 HEM A S 5 FT #HET 72 72 LEU A 2 397 HX2 A A 2 FT #HET 86 86 PRO A 1 417 HEM A A 9 FT #HET 87 87 LEU A 1 417 HEM A A 7 FT #HET 94 94 HIS A 1 417 HEM A S 5 FT #HET 98 98 ARG A 1 417 HEM A S 6 FT #HET 230 230 ASN A 1 417 HEM A S 4 FT #HET 231 231 LEU A 1 417 HEM A B 2 FT #HET 234 234 GLY A 1 417 HEM A B 11 FT #HET 235 235 GLY A 1 417 HEM A B 5 FT #HET 238 238 THR A 1 417 HEM A A 13 FT #HET 238 238 THR A 2 397 HX2 A S 1 FT #HET 239 239 VAL A 1 417 HEM A S 2 FT #HET 242 242 MET A 1 417 HEM A S 1 FT #HET 281 281 VAL A 1 417 HEM A S 2 FT #HET 281 281 VAL A 2 397 HX2 A S 1 FT #HET 282 282 ALA A 2 397 HX2 A B 4 FT #HET 283 283 VAL A 1 417 HEM A S 4 FT #HET 283 283 VAL A 2 397 HX2 A B 1 FT #HET 285 285 ARG A 1 417 HEM A S 8 FT #HET 337 337 THR A 1 417 HEM A A 4 FT #HET 338 338 MET A 1 417 HEM A A 14 FT #HET 339 339 GLY A 1 417 HEM A B 2 FT #HET 343 343 HIS A 1 417 HEM A A 15 FT #HET 345 345 CYS A 1 417 HEM A A 25 FT #HET 346 346 VAL A 1 417 HEM A S 3 FT #HET 350 350 LEU A 1 417 HEM A S 1 FT #HET 351 351 ALA A 1 417 HEM A S 1 FT #HET 354 354 GLU A 1 417 HEM A S 1 FT #HET 383 383 ASN A 2 397 HX2 A S 4 CC SEQUENCE 396 AA (ATOM); CC MIPAHVPADR VVDFDIFNPP GVEQDYFAAW KTLLDGPGLV WSTANGGHWI AARGDVVREL CC WGDAERLSSQ CLAVTPGLGK VMQFIPLQQD GAEHKAFRTP VMKGLASRFV VALEPKVQAV CC ARKLMESLRP RGSCDFVSDF AEILPLNIFL TLIDVPLEDR PRLRQLGVQL TRPDGSMTVE CC QLKQAADDYL WPFIEKRMAQ PGDDLFSRIL SEPVGGRPWT VDEARRMCRN LLFGGLDTVA CC AMIGMVALHL ARHPEDQRLL RERPDLIPAA ADELMRRYPT VAVSRNAVAD VDADGVTIRK CC GDLVYLPSVL HNLDPASFEA PEEVRFDRGL APIRHTTMGV GAHRCVGAGL ARMEVIVFLR CC EWLGGMPEFA LAPDKAVTMK GGNVGACTAL PLVWRA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MIPAHVPADRVVDFDIFNPPGVEQDYFAAWKTLLDGPGLVWSTANGGHWI CC ATOM MIPAHVPADRVVDFDIFNPPGVEQDYFAAWKTLLDGPGLVWSTANGGHWI CC ************************************************** CC SEQRES AARGDVVRELWGDAERLSSQCLAVTPGLGKVMQFIPLQQDGAEHKAFRTP CC ATOM AARGDVVRELWGDAERLSSQCLAVTPGLGKVMQFIPLQQDGAEHKAFRTP CC ************************************************** CC SEQRES VMKGLASRFVVALEPKVQAVARKLMESLRPRGSCDFVSDFAEILPLNIFL CC ATOM VMKGLASRFVVALEPKVQAVARKLMESLRPRGSCDFVSDFAEILPLNIFL CC ************************************************** CC SEQRES TLIDVPLEDRPRLRQLGVQLTRPDGSMTVEQLKQAADDYLWPFIEKRMAQ CC ATOM TLIDVPLEDRPRLRQLGVQLTRPDGSMTVEQLKQAADDYLWPFIEKRMAQ CC ************************************************** CC SEQRES PGDDLFSRILSEPVGGRPWTVDEARRMCRNLLFGGLDTVAAMIGMVALHL CC ATOM PGDDLFSRILSEPVGGRPWTVDEARRMCRNLLFGGLDTVAAMIGMVALHL CC ************************************************** CC SEQRES ARHPEDQRLLRERPDLIPAAADELMRRYPTVAVSRNAVADVDADGVTIRK CC ATOM ARHPEDQRLLRERPDLIPAAADELMRRYPTVAVSRNAVADVDADGVTIRK CC ************************************************** CC SEQRES GDLVYLPSVLHNLDPASFEAPEEVRFDRGLAPIRHTTMGVGAHRCVGAGL CC ATOM GDLVYLPSVLHNLDPASFEAPEEVRFDRGLAPIRHTTMGVGAHRCVGAGL CC ************************************************** CC SEQRES ARMEVIVFLREWLGGMPEFALAPDKAVTMKGGNVGACTALPLVWRA CC ATOM ARMEVIVFLREWLGGMPEFALAPDKAVTMKGGNVGACTALPLVWRA CC ********************************************** SQ SEQUENCE 396 AA; MW; CN; MIPAHVPADR VVDFDIFNPP GVEQDYFAAW KTLLDGPGLV WSTANGGHWI AARGDVVREL WGDAERLSSQ CLAVTPGLGK VMQFIPLQQD GAEHKAFRTP VMKGLASRFV VALEPKVQAV ARKLMESLRP RGSCDFVSDF AEILPLNIFL TLIDVPLEDR PRLRQLGVQL TRPDGSMTVE QLKQAADDYL WPFIEKRMAQ PGDDLFSRIL SEPVGGRPWT VDEARRMCRN LLFGGLDTVA AMIGMVALHL ARHPEDQRLL RERPDLIPAA ADELMRRYPT VAVSRNAVAD VDADGVTIRK GDLVYLPSVL HNLDPASFEA PEEVRFDRGL APIRHTTMGV GAHRCVGAGL ARMEVIVFLR EWLGGMPEFA LAPDKAVTMK GGNVGACTAL PLVWRA // ID 3OFTB STANDARD; PRT; 396 AA. DT CONVERTED FROM PDB (SEQRES) 3OFT DE Cytochrome P450 OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.900 CC R-Factor 0.177 FT #SUB 165 165 GLN B 23 23 GLU A Protein S 4 FT #SUB 166 166 LEU B 378 378 THR A Protein S 1 FT #SUB 169 169 GLN B 23 23 GLU A Protein S 3 FT #SUB 116 116 LYS B 200 200 GLN C Protein S 4 FT #SUB 122 122 ARG B 154 154 ASP C Protein S 5 FT #SUB 122 122 ARG B 203 203 ASP C Protein S 3 FT #SUB 123 123 LYS B 203 203 ASP C Protein A 4 FT #SUB 126 126 GLU B 203 203 ASP C Protein S 6 FT #SUB 129 129 ARG B 112 112 ALA C Protein S 4 FT #SUB 157 157 LEU B 200 200 GLN C Protein S 1 FT #SUB 157 157 LEU B 201 201 PRO C Protein S 1 FT #SUB 360 360 ARG B 157 157 LEU C Protein S 1 FT #SUB 364 364 GLY B 115 115 PRO C Protein B 2 FT #SUB 364 364 GLY B 116 116 LYS C Protein B 1 FT #HET 61 61 TRP B 3 417 HEM B S 5 FT #HET 86 86 PRO B 3 417 HEM B A 7 FT #HET 87 87 LEU B 3 417 HEM B A 8 FT #HET 94 94 HIS B 3 417 HEM B S 5 FT #HET 98 98 ARG B 3 417 HEM B S 6 FT #HET 230 230 ASN B 3 417 HEM B S 4 FT #HET 231 231 LEU B 3 417 HEM B B 2 FT #HET 234 234 GLY B 3 417 HEM B B 11 FT #HET 235 235 GLY B 3 417 HEM B B 6 FT #HET 238 238 THR B 3 417 HEM B A 11 FT #HET 238 238 THR B 4 397 HX2 B S 1 FT #HET 239 239 VAL B 3 417 HEM B S 1 FT #HET 242 242 MET B 3 417 HEM B S 1 FT #HET 281 281 VAL B 3 417 HEM B S 2 FT #HET 281 281 VAL B 4 397 HX2 B S 3 FT #HET 282 282 ALA B 4 397 HX2 B B 5 FT #HET 283 283 VAL B 3 417 HEM B S 4 FT #HET 283 283 VAL B 4 397 HX2 B A 4 FT #HET 285 285 ARG B 3 417 HEM B S 8 FT #HET 337 337 THR B 3 417 HEM B A 4 FT #HET 338 338 MET B 3 417 HEM B A 15 FT #HET 339 339 GLY B 3 417 HEM B B 2 FT #HET 343 343 HIS B 3 417 HEM B A 17 FT #HET 345 345 CYS B 3 417 HEM B A 25 FT #HET 346 346 VAL B 3 417 HEM B S 3 FT #HET 350 350 LEU B 3 417 HEM B S 1 FT #HET 351 351 ALA B 3 417 HEM B S 1 FT #HET 383 383 ASN B 4 397 HX2 B S 3 FT DISORDER 173 175 CC SEQUENCE 393 AA (ATOM); CC MIPAHVPADR VVDFDIFNPP GVEQDYFAAW KTLLDGPGLV WSTANGGHWI AARGDVVREL CC WGDAERLSSQ CLAVTPGLGK VMQFIPLQQD GAEHKAFRTP VMKGLASRFV VALEPKVQAV CC ARKLMESLRP RGSCDFVSDF AEILPLNIFL TLIDVPLEDR PRLRQLGVQL TRSMTVEQLK CC QAADDYLWPF IEKRMAQPGD DLFSRILSEP VGGRPWTVDE ARRMCRNLLF GGLDTVAAMI CC GMVALHLARH PEDQRLLRER PDLIPAAADE LMRRYPTVAV SRNAVADVDA DGVTIRKGDL CC VYLPSVLHNL DPASFEAPEE VRFDRGLAPI RHTTMGVGAH RCVGAGLARM EVIVFLREWL CC GGMPEFALAP DKAVTMKGGN VGACTALPLV WRA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MIPAHVPADRVVDFDIFNPPGVEQDYFAAWKTLLDGPGLVWSTANGGHWI CC ATOM MIPAHVPADRVVDFDIFNPPGVEQDYFAAWKTLLDGPGLVWSTANGGHWI CC ************************************************** CC SEQRES AARGDVVRELWGDAERLSSQCLAVTPGLGKVMQFIPLQQDGAEHKAFRTP CC ATOM AARGDVVRELWGDAERLSSQCLAVTPGLGKVMQFIPLQQDGAEHKAFRTP CC ************************************************** CC SEQRES VMKGLASRFVVALEPKVQAVARKLMESLRPRGSCDFVSDFAEILPLNIFL CC ATOM VMKGLASRFVVALEPKVQAVARKLMESLRPRGSCDFVSDFAEILPLNIFL CC ************************************************** CC SEQRES TLIDVPLEDRPRLRQLGVQLTRPDGSMTVEQLKQAADDYLWPFIEKRMAQ CC ATOM TLIDVPLEDRPRLRQLGVQLTR---SMTVEQLKQAADDYLWPFIEKRMAQ CC ********************** ************************* CC SEQRES PGDDLFSRILSEPVGGRPWTVDEARRMCRNLLFGGLDTVAAMIGMVALHL CC ATOM PGDDLFSRILSEPVGGRPWTVDEARRMCRNLLFGGLDTVAAMIGMVALHL CC ************************************************** CC SEQRES ARHPEDQRLLRERPDLIPAAADELMRRYPTVAVSRNAVADVDADGVTIRK CC ATOM ARHPEDQRLLRERPDLIPAAADELMRRYPTVAVSRNAVADVDADGVTIRK CC ************************************************** CC SEQRES GDLVYLPSVLHNLDPASFEAPEEVRFDRGLAPIRHTTMGVGAHRCVGAGL CC ATOM GDLVYLPSVLHNLDPASFEAPEEVRFDRGLAPIRHTTMGVGAHRCVGAGL CC ************************************************** CC SEQRES ARMEVIVFLREWLGGMPEFALAPDKAVTMKGGNVGACTALPLVWRA CC ATOM ARMEVIVFLREWLGGMPEFALAPDKAVTMKGGNVGACTALPLVWRA CC ********************************************** SQ SEQUENCE 396 AA; MW; CN; MIPAHVPADR VVDFDIFNPP GVEQDYFAAW KTLLDGPGLV WSTANGGHWI AARGDVVREL WGDAERLSSQ CLAVTPGLGK VMQFIPLQQD GAEHKAFRTP VMKGLASRFV VALEPKVQAV ARKLMESLRP RGSCDFVSDF AEILPLNIFL TLIDVPLEDR PRLRQLGVQL TRPDGSMTVE QLKQAADDYL WPFIEKRMAQ PGDDLFSRIL SEPVGGRPWT VDEARRMCRN LLFGGLDTVA AMIGMVALHL ARHPEDQRLL RERPDLIPAA ADELMRRYPT VAVSRNAVAD VDADGVTIRK GDLVYLPSVL HNLDPASFEA PEEVRFDRGL APIRHTTMGV GAHRCVGAGL ARMEVIVFLR EWLGGMPEFA LAPDKAVTMK GGNVGACTAL PLVWRA // ID 3OFTC STANDARD; PRT; 396 AA. DT CONVERTED FROM PDB (SEQRES) 3OFT DE Cytochrome P450 OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.900 CC R-Factor 0.177 FT #SUB 103 103 LYS C 177 177 MET A Protein S 1 FT #SUB 108 108 ARG C 176 176 SER A Protein S 7 FT #SUB 108 108 ARG C 177 177 MET A Protein S 2 FT #SUB 108 108 ARG C 178 178 THR A Protein S 3 FT #SUB 108 108 ARG C 181 181 GLN A Protein S 2 FT #SUB 212 212 GLU C 169 169 GLN A Protein S 2 FT #SUB 216 216 GLY C 166 166 LEU A Protein B 2 FT #SUB 112 112 ALA C 129 129 ARG B Protein A 4 FT #SUB 115 115 PRO C 364 364 GLY B Protein S 2 FT #SUB 116 116 LYS C 364 364 GLY B Protein S 1 FT #SUB 154 154 ASP C 122 122 ARG B Protein S 5 FT #SUB 157 157 LEU C 360 360 ARG B Protein S 1 FT #SUB 200 200 GLN C 116 116 LYS B Protein S 4 FT #SUB 200 200 GLN C 157 157 LEU B Protein S 1 FT #SUB 201 201 PRO C 157 157 LEU B Protein S 1 FT #SUB 203 203 ASP C 122 122 ARG B Protein S 3 FT #SUB 203 203 ASP C 123 123 LYS B Protein S 4 FT #SUB 203 203 ASP C 126 126 GLU B Protein S 6 FT #HET 61 61 TRP C 5 417 HEM C S 5 FT #HET 72 72 LEU C 6 397 HX2 C A 2 FT #HET 86 86 PRO C 5 417 HEM C A 6 FT #HET 87 87 LEU C 5 417 HEM C A 6 FT #HET 94 94 HIS C 5 417 HEM C S 5 FT #HET 98 98 ARG C 5 417 HEM C S 6 FT #HET 230 230 ASN C 5 417 HEM C S 4 FT #HET 231 231 LEU C 5 417 HEM C A 3 FT #HET 234 234 GLY C 5 417 HEM C B 7 FT #HET 234 234 GLY C 6 397 HX2 C B 1 FT #HET 235 235 GLY C 5 417 HEM C B 4 FT #HET 238 238 THR C 5 417 HEM C A 11 FT #HET 238 238 THR C 6 397 HX2 C S 1 FT #HET 239 239 VAL C 5 417 HEM C A 3 FT #HET 242 242 MET C 5 417 HEM C S 1 FT #HET 281 281 VAL C 5 417 HEM C S 2 FT #HET 281 281 VAL C 6 397 HX2 C S 2 FT #HET 282 282 ALA C 6 397 HX2 C B 4 FT #HET 283 283 VAL C 5 417 HEM C S 4 FT #HET 283 283 VAL C 6 397 HX2 C B 1 FT #HET 285 285 ARG C 5 417 HEM C S 8 FT #HET 337 337 THR C 5 417 HEM C A 4 FT #HET 338 338 MET C 5 417 HEM C A 13 FT #HET 339 339 GLY C 5 417 HEM C B 2 FT #HET 343 343 HIS C 5 417 HEM C A 16 FT #HET 345 345 CYS C 5 417 HEM C A 25 FT #HET 346 346 VAL C 5 417 HEM C S 3 FT #HET 347 347 GLY C 5 417 HEM C B 2 FT #HET 351 351 ALA C 5 417 HEM C S 1 FT #HET 354 354 GLU C 5 417 HEM C S 1 FT #HET 383 383 ASN C 6 397 HX2 C S 4 FT DISORDER 171 176 CC SEQUENCE 390 AA (ATOM); CC MIPAHVPADR VVDFDIFNPP GVEQDYFAAW KTLLDGPGLV WSTANGGHWI AARGDVVREL CC WGDAERLSSQ CLAVTPGLGK VMQFIPLQQD GAEHKAFRTP VMKGLASRFV VALEPKVQAV CC ARKLMESLRP RGSCDFVSDF AEILPLNIFL TLIDVPLEDR PRLRQLGVQL MTVEQLKQAA CC DDYLWPFIEK RMAQPGDDLF SRILSEPVGG RPWTVDEARR MCRNLLFGGL DTVAAMIGMV CC ALHLARHPED QRLLRERPDL IPAAADELMR RYPTVAVSRN AVADVDADGV TIRKGDLVYL CC PSVLHNLDPA SFEAPEEVRF DRGLAPIRHT TMGVGAHRCV GAGLARMEVI VFLREWLGGM CC PEFALAPDKA VTMKGGNVGA CTALPLVWRA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MIPAHVPADRVVDFDIFNPPGVEQDYFAAWKTLLDGPGLVWSTANGGHWI CC ATOM MIPAHVPADRVVDFDIFNPPGVEQDYFAAWKTLLDGPGLVWSTANGGHWI CC ************************************************** CC SEQRES AARGDVVRELWGDAERLSSQCLAVTPGLGKVMQFIPLQQDGAEHKAFRTP CC ATOM AARGDVVRELWGDAERLSSQCLAVTPGLGKVMQFIPLQQDGAEHKAFRTP CC ************************************************** CC SEQRES VMKGLASRFVVALEPKVQAVARKLMESLRPRGSCDFVSDFAEILPLNIFL CC ATOM VMKGLASRFVVALEPKVQAVARKLMESLRPRGSCDFVSDFAEILPLNIFL CC ************************************************** CC SEQRES TLIDVPLEDRPRLRQLGVQLTRPDGSMTVEQLKQAADDYLWPFIEKRMAQ CC ATOM TLIDVPLEDRPRLRQLGVQL------MTVEQLKQAADDYLWPFIEKRMAQ CC ******************** ************************ CC SEQRES PGDDLFSRILSEPVGGRPWTVDEARRMCRNLLFGGLDTVAAMIGMVALHL CC ATOM PGDDLFSRILSEPVGGRPWTVDEARRMCRNLLFGGLDTVAAMIGMVALHL CC ************************************************** CC SEQRES ARHPEDQRLLRERPDLIPAAADELMRRYPTVAVSRNAVADVDADGVTIRK CC ATOM ARHPEDQRLLRERPDLIPAAADELMRRYPTVAVSRNAVADVDADGVTIRK CC ************************************************** CC SEQRES GDLVYLPSVLHNLDPASFEAPEEVRFDRGLAPIRHTTMGVGAHRCVGAGL CC ATOM GDLVYLPSVLHNLDPASFEAPEEVRFDRGLAPIRHTTMGVGAHRCVGAGL CC ************************************************** CC SEQRES ARMEVIVFLREWLGGMPEFALAPDKAVTMKGGNVGACTALPLVWRA CC ATOM ARMEVIVFLREWLGGMPEFALAPDKAVTMKGGNVGACTALPLVWRA CC ********************************************** SQ SEQUENCE 396 AA; MW; CN; MIPAHVPADR VVDFDIFNPP GVEQDYFAAW KTLLDGPGLV WSTANGGHWI AARGDVVREL WGDAERLSSQ CLAVTPGLGK VMQFIPLQQD GAEHKAFRTP VMKGLASRFV VALEPKVQAV ARKLMESLRP RGSCDFVSDF AEILPLNIFL TLIDVPLEDR PRLRQLGVQL TRPDGSMTVE QLKQAADDYL WPFIEKRMAQ PGDDLFSRIL SEPVGGRPWT VDEARRMCRN LLFGGLDTVA AMIGMVALHL ARHPEDQRLL RERPDLIPAA ADELMRRYPT VAVSRNAVAD VDADGVTIRK GDLVYLPSVL HNLDPASFEA PEEVRFDRGL APIRHTTMGV GAHRCVGAGL ARMEVIVFLR EWLGGMPEFA LAPDKAVTMK GGNVGACTAL PLVWRA //