ID 6H1TA STANDARD; PRT; 458 AA. DT CONVERTED FROM PDB (SEQRES) 6H1T DE Bifunctional cytochrome P450/NADPH--P450 reductase OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.080 CC R-Factor 0.169 FT #SUB 125 125 GLN A 132 132 ARG B Protein S 12 FT #SUB 128 128 GLN A 166 166 TYR B Protein B 1 FT #SUB 129 129 LYS A 166 166 TYR B Protein A 6 FT #SUB 132 132 ARG A 125 125 GLN B Protein S 13 FT #SUB 132 132 ARG A 161 161 ARG B Protein A 8 FT #SUB 132 132 ARG A 163 163 ASN B Protein A 5 FT #SUB 132 132 ARG A 166 166 TYR B Protein S 5 FT #SUB 134 134 ASN A 160 160 TYR B Protein S 9 FT #SUB 134 134 ASN A 161 161 ARG B Protein S 9 FT #SUB 135 135 ALA A 218 218 LYS B Protein B 3 FT #SUB 135 135 ALA A 222 222 ASP B Protein S 1 FT #SUB 160 160 TYR A 134 134 ASN B Protein A 9 FT #SUB 161 161 ARG A 132 132 ARG B Protein S 11 FT #SUB 161 161 ARG A 134 134 ASN B Protein A 8 FT #SUB 163 163 ASN A 132 132 ARG B Protein S 5 FT #SUB 165 165 PHE A 166 166 TYR B Protein B 5 FT #SUB 166 166 TYR A 128 128 GLN B Protein S 2 FT #SUB 166 166 TYR A 129 129 LYS B Protein S 6 FT #SUB 166 166 TYR A 132 132 ARG B Protein S 5 FT #SUB 166 166 TYR A 165 165 PHE B Protein A 5 FT #SUB 166 166 TYR A 166 166 TYR B Protein B 4 FT #SUB 166 166 TYR A 167 167 ARG B Protein B 2 FT #SUB 166 166 TYR A 168 168 ASP B Protein B 1 FT #SUB 167 167 ARG A 166 166 TYR B Protein B 2 FT #SUB 167 167 ARG A 168 168 ASP B Protein A 6 FT #SUB 168 168 ASP A 167 167 ARG B Protein S 3 FT #SUB 168 168 ASP A 168 168 ASP B Protein A 7 FT #SUB 218 218 LYS A 135 135 ALA B Protein S 3 FT #SUB 222 222 ASP A 135 135 ALA B Protein S 2 FT #HET 51 51 TYR A 10 510 EDO A S 1 FT #HET 69 69 LYS A 1 501 HEM A S 8 FT #HET 72 72 SER A 3 503 MPD A S 5 FT #HET 75 75 LEU A 1 501 HEM A S 1 FT #HET 75 75 LEU A 2 502 CL6 A S 1 FT #HET 75 75 LEU A 3 503 MPD A S 2 FT #HET 79 79 ARG A 6 506 MPD A S 4 FT #HET 80 80 ASP A 8 508 EDO A A 2 FT #HET 81 81 PHE A 5 505 MPD A A 6 FT #HET 82 82 PHE A 2 502 CL6 A S 2 FT #HET 83 83 GLY A 6 506 MPD A B 1 FT #HET 84 84 ASP A 6 506 MPD A S 2 FT #HET 86 86 LEU A 1 501 HEM A A 8 FT #HET 87 87 VAL A 1 501 HEM A A 5 FT #HET 87 87 VAL A 2 502 CL6 A S 6 FT #HET 96 96 TRP A 1 501 HEM A S 5 FT #HET 107 107 PHE A 1 501 HEM A S 2 FT #HET 130 130 TRP A 9 509 EDO A B 2 FT #HET 131 131 GLU A 9 509 EDO A B 2 FT #HET 133 133 LEU A 9 509 EDO A B 2 FT #HET 177 177 MET A 4 504 MPD A S 1 FT #HET 178 178 VAL A 4 504 MPD A S 2 FT #HET 181 181 LEU A 4 504 MPD A S 2 FT #HET 199 199 ASP A 7 507 EDO A A 4 FT #HET 200 200 GLU A 7 507 EDO A A 6 FT #HET 203 203 ARG A 7 507 EDO A S 2 FT #HET 205 205 PHE A 8 508 EDO A S 1 FT #HET 209 209 ILE A 5 505 MPD A S 1 FT #HET 212 212 MET A 5 505 MPD A S 1 FT #HET 213 213 ASN A 5 505 MPD A S 4 FT #HET 255 255 ARG A 5 505 MPD A S 1 FT #HET 256 256 TYR A 6 506 MPD A S 3 FT #HET 259 259 ILE A 5 505 MPD A S 2 FT #HET 260 260 THR A 2 502 CL6 A B 1 FT #HET 261 261 PHE A 1 501 HEM A S 3 FT #HET 263 263 ILE A 4 504 MPD A S 2 FT #HET 264 264 ALA A 1 501 HEM A A 11 FT #HET 264 264 ALA A 2 502 CL6 A A 11 FT #HET 265 265 GLY A 1 501 HEM A B 2 FT #HET 268 268 THR A 1 501 HEM A A 10 FT #HET 268 268 THR A 2 502 CL6 A S 4 FT #HET 269 269 THR A 1 501 HEM A A 2 FT #HET 327 327 THR A 1 501 HEM A S 1 FT #HET 328 328 ALA A 1 501 HEM A S 1 FT #HET 328 328 ALA A 2 502 CL6 A S 2 FT #HET 329 329 PRO A 3 503 MPD A S 1 FT #HET 330 330 ALA A 2 502 CL6 A B 1 FT #HET 330 330 ALA A 3 503 MPD A B 3 FT #HET 331 331 PHE A 1 501 HEM A S 3 FT #HET 354 354 MET A 3 503 MPD A S 1 FT #HET 392 392 PRO A 1 501 HEM A B 3 FT #HET 393 393 PHE A 1 501 HEM A A 14 FT #HET 394 394 GLY A 1 501 HEM A B 2 FT #HET 398 398 ARG A 1 501 HEM A A 9 FT #HET 399 399 ALA A 1 501 HEM A B 1 FT #HET 400 400 CYS A 1 501 HEM A A 27 FT #HET 401 401 ILE A 1 501 HEM A S 2 FT #HET 402 402 GLY A 1 501 HEM A B 8 FT #HET 405 405 PHE A 1 501 HEM A S 1 FT #HET 406 406 ALA A 1 501 HEM A S 3 FT #HET 437 437 LEU A 2 502 CL6 A A 5 FT #HET 437 437 LEU A 3 503 MPD A A 2 FT #HET 438 438 THR A 2 502 CL6 A A 4 FT #HET 448 448 ALA A 9 509 EDO A B 3 FT #HET 449 449 LYS A 9 509 EDO A B 2 FT #HET 450 450 SER A 9 509 EDO A A 4 FT DISORDER 457 458 CC SEQUENCE 456 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV CC DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA CC LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG CC KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD CC PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL CC HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH CC FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ************************************************** CC SEQRES NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ATOM NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ************************************************** CC SEQRES DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ATOM DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ************************************************** CC SEQRES NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ATOM NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ************************************************** CC SEQRES DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ATOM DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ************************************************** CC SEQRES PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ATOM PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ************************************************** CC SEQRES DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ATOM DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ************************************************** CC SEQRES IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ATOM IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ************************************************** CC SEQRES KKIPLGGI CC ATOM KKIPLG-- CC ****** SQ SEQUENCE 458 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLGGI // ID 6H1TB STANDARD; PRT; 458 AA. DT CONVERTED FROM PDB (SEQRES) 6H1T DE Bifunctional cytochrome P450/NADPH--P450 reductase OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.080 CC R-Factor 0.169 FT #SUB 125 125 GLN B 132 132 ARG A Protein S 13 FT #SUB 128 128 GLN B 166 166 TYR A Protein B 2 FT #SUB 129 129 LYS B 166 166 TYR A Protein A 6 FT #SUB 132 132 ARG B 125 125 GLN A Protein S 12 FT #SUB 132 132 ARG B 161 161 ARG A Protein A 11 FT #SUB 132 132 ARG B 163 163 ASN A Protein A 5 FT #SUB 132 132 ARG B 166 166 TYR A Protein S 5 FT #SUB 134 134 ASN B 160 160 TYR A Protein S 9 FT #SUB 134 134 ASN B 161 161 ARG A Protein S 8 FT #SUB 135 135 ALA B 218 218 LYS A Protein B 3 FT #SUB 135 135 ALA B 222 222 ASP A Protein S 2 FT #SUB 160 160 TYR B 134 134 ASN A Protein A 9 FT #SUB 161 161 ARG B 132 132 ARG A Protein S 8 FT #SUB 161 161 ARG B 134 134 ASN A Protein A 9 FT #SUB 163 163 ASN B 132 132 ARG A Protein S 5 FT #SUB 165 165 PHE B 166 166 TYR A Protein B 5 FT #SUB 166 166 TYR B 128 128 GLN A Protein S 1 FT #SUB 166 166 TYR B 129 129 LYS A Protein S 6 FT #SUB 166 166 TYR B 132 132 ARG A Protein S 5 FT #SUB 166 166 TYR B 165 165 PHE A Protein A 5 FT #SUB 166 166 TYR B 166 166 TYR A Protein B 4 FT #SUB 166 166 TYR B 167 167 ARG A Protein B 2 FT #SUB 167 167 ARG B 166 166 TYR A Protein B 2 FT #SUB 167 167 ARG B 168 168 ASP A Protein A 3 FT #SUB 168 168 ASP B 166 166 TYR A Protein S 1 FT #SUB 168 168 ASP B 167 167 ARG A Protein S 6 FT #SUB 168 168 ASP B 168 168 ASP A Protein A 7 FT #SUB 218 218 LYS B 135 135 ALA A Protein S 3 FT #SUB 222 222 ASP B 135 135 ALA A Protein S 1 FT #SUB 59 59 LYS B 217 217 ASP C Protein S 6 FT #SUB 63 63 ASP B 224 224 LYS C Protein S 3 FT #SUB 65 65 SER B 224 224 LYS C Protein S 2 FT #SUB 66 66 ARG B 251 251 ASP C Protein S 1 FT #SUB 383 383 SER B 210 210 LYS C Protein B 2 FT #SUB 384 384 ALA B 210 210 LYS C Protein B 1 FT #SUB 385 385 ILE B 210 210 LYS C Protein B 2 FT #SUB 386 386 PRO B 210 210 LYS C Protein B 2 FT #SUB 108 108 SER B 428 428 ASN D Protein S 2 FT #SUB 109 109 GLN B 430 430 GLU D Protein S 3 FT #SUB 110 110 GLN B 430 430 GLU D Protein A 3 FT #SUB 113 113 LYS B 430 430 GLU D Protein S 6 FT #HET 69 69 LYS B 11 501 HEM B S 6 FT #HET 72 72 SER B 13 503 MPD B S 5 FT #HET 75 75 LEU B 11 501 HEM B S 1 FT #HET 75 75 LEU B 12 502 CL6 B S 2 FT #HET 75 75 LEU B 13 503 MPD B S 1 FT #HET 79 79 ARG B 19 509 EDO B S 2 FT #HET 80 80 ASP B 17 507 EDO B B 1 FT #HET 81 81 PHE B 18 508 EDO B B 1 FT #HET 82 82 PHE B 12 502 CL6 B S 1 FT #HET 83 83 GLY B 19 509 EDO B B 1 FT #HET 86 86 LEU B 11 501 HEM B A 6 FT #HET 87 87 VAL B 11 501 HEM B S 4 FT #HET 87 87 VAL B 12 502 CL6 B S 9 FT #HET 90 90 TRP B 20 510 PGE B S 5 FT #HET 92 92 HIS B 20 510 PGE B S 7 FT #HET 94 94 LYS B 16 506 EDO B A 6 FT #HET 96 96 TRP B 11 501 HEM B S 5 FT #HET 97 97 LYS B 16 506 EDO B A 5 FT #HET 98 98 LYS B 16 506 EDO B A 5 FT #HET 101 101 ASN B 16 506 EDO B S 1 FT #HET 107 107 PHE B 11 501 HEM B S 2 FT #HET 130 130 TRP B 15 505 EDO B B 1 FT #HET 133 133 LEU B 15 505 EDO B A 4 FT #HET 153 153 ILE B 11 501 HEM B S 1 FT #HET 177 177 MET B 21 511 MPD B S 1 FT #HET 178 178 VAL B 21 511 MPD B S 1 FT #HET 181 181 LEU B 21 511 MPD B S 2 FT #HET 213 213 ASN B 18 508 EDO B S 4 FT #HET 242 242 ASP B 16 506 EDO B S 6 FT #HET 244 244 GLU B 16 506 EDO B S 6 FT #HET 255 255 ARG B 18 508 EDO B S 1 FT #HET 260 260 THR B 12 502 CL6 B B 1 FT #HET 261 261 PHE B 11 501 HEM B S 3 FT #HET 263 263 ILE B 21 511 MPD B S 3 FT #HET 264 264 ALA B 11 501 HEM B A 7 FT #HET 264 264 ALA B 12 502 CL6 B A 11 FT #HET 265 265 GLY B 11 501 HEM B B 3 FT #HET 266 266 HIS B 21 511 MPD B S 1 FT #HET 267 267 GLU B 12 502 CL6 B S 4 FT #HET 267 267 GLU B 21 511 MPD B S 9 FT #HET 268 268 THR B 11 501 HEM B A 10 FT #HET 268 268 THR B 12 502 CL6 B S 3 FT #HET 269 269 THR B 11 501 HEM B A 2 FT #HET 327 327 THR B 11 501 HEM B S 1 FT #HET 328 328 ALA B 11 501 HEM B S 1 FT #HET 328 328 ALA B 12 502 CL6 B S 2 FT #HET 330 330 ALA B 13 503 MPD B B 4 FT #HET 331 331 PHE B 11 501 HEM B S 3 FT #HET 334 334 TYR B 20 510 PGE B S 3 FT #HET 366 366 ILE B 14 504 MPO B B 2 FT #HET 367 367 TRP B 14 504 MPO B S 2 FT #HET 375 375 ARG B 14 504 MPO B S 8 FT #HET 378 378 ARG B 14 504 MPO B A 3 FT #HET 384 384 ALA B 14 504 MPO B B 3 FT #HET 385 385 ILE B 14 504 MPO B A 2 FT #HET 386 386 PRO B 14 504 MPO B S 2 FT #HET 392 392 PRO B 11 501 HEM B B 3 FT #HET 393 393 PHE B 11 501 HEM B A 12 FT #HET 394 394 GLY B 11 501 HEM B B 2 FT #HET 398 398 ARG B 11 501 HEM B A 7 FT #HET 399 399 ALA B 11 501 HEM B B 1 FT #HET 400 400 CYS B 11 501 HEM B A 27 FT #HET 401 401 ILE B 11 501 HEM B S 2 FT #HET 402 402 GLY B 11 501 HEM B B 7 FT #HET 405 405 PHE B 11 501 HEM B S 1 FT #HET 406 406 ALA B 11 501 HEM B S 3 FT #HET 437 437 LEU B 12 502 CL6 B A 5 FT #HET 437 437 LEU B 13 503 MPD B A 2 FT #HET 438 438 THR B 12 502 CL6 B A 4 FT #HET 448 448 ALA B 15 505 EDO B B 4 FT #HET 449 449 LYS B 15 505 EDO B A 3 FT #HET 450 450 SER B 15 505 EDO B A 5 FT DISORDER 457 458 CC SEQUENCE 456 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV CC DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA CC LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG CC KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD CC PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL CC HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH CC FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ************************************************** CC SEQRES NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ATOM NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ************************************************** CC SEQRES DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ATOM DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ************************************************** CC SEQRES NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ATOM NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ************************************************** CC SEQRES DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ATOM DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ************************************************** CC SEQRES PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ATOM PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ************************************************** CC SEQRES DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ATOM DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ************************************************** CC SEQRES IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ATOM IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ************************************************** CC SEQRES KKIPLGGI CC ATOM KKIPLG-- CC ****** SQ SEQUENCE 458 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLGGI // ID 6H1TC STANDARD; PRT; 458 AA. DT CONVERTED FROM PDB (SEQRES) 6H1T DE Bifunctional cytochrome P450/NADPH--P450 reductase OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.080 CC R-Factor 0.169 FT #SUB 210 210 LYS C 383 383 SER B Protein S 2 FT #SUB 210 210 LYS C 384 384 ALA B Protein S 1 FT #SUB 210 210 LYS C 385 385 ILE B Protein S 2 FT #SUB 210 210 LYS C 386 386 PRO B Protein S 2 FT #SUB 217 217 ASP C 59 59 LYS B Protein S 6 FT #SUB 224 224 LYS C 63 63 ASP B Protein S 3 FT #SUB 224 224 LYS C 65 65 SER B Protein S 2 FT #SUB 251 251 ASP C 66 66 ARG B Protein S 1 FT #SUB 125 125 GLN C 132 132 ARG D Protein S 13 FT #SUB 128 128 GLN C 166 166 TYR D Protein B 2 FT #SUB 129 129 LYS C 166 166 TYR D Protein A 6 FT #SUB 132 132 ARG C 125 125 GLN D Protein S 10 FT #SUB 132 132 ARG C 161 161 ARG D Protein A 8 FT #SUB 132 132 ARG C 163 163 ASN D Protein A 5 FT #SUB 132 132 ARG C 166 166 TYR D Protein S 4 FT #SUB 132 132 ARG C 458 458 ILE D Protein S 1 FT #SUB 134 134 ASN C 160 160 TYR D Protein S 8 FT #SUB 134 134 ASN C 161 161 ARG D Protein S 9 FT #SUB 135 135 ALA C 218 218 LYS D Protein B 3 FT #SUB 135 135 ALA C 222 222 ASP D Protein S 1 FT #SUB 136 136 ASP C 222 222 ASP D Protein S 1 FT #SUB 160 160 TYR C 134 134 ASN D Protein A 8 FT #SUB 161 161 ARG C 132 132 ARG D Protein S 7 FT #SUB 161 161 ARG C 134 134 ASN D Protein A 9 FT #SUB 163 163 ASN C 132 132 ARG D Protein S 5 FT #SUB 165 165 PHE C 165 165 PHE D Protein B 1 FT #SUB 165 165 PHE C 166 166 TYR D Protein B 5 FT #SUB 166 166 TYR C 128 128 GLN D Protein S 2 FT #SUB 166 166 TYR C 129 129 LYS D Protein S 7 FT #SUB 166 166 TYR C 132 132 ARG D Protein S 4 FT #SUB 166 166 TYR C 165 165 PHE D Protein A 5 FT #SUB 166 166 TYR C 166 166 TYR D Protein B 3 FT #SUB 166 166 TYR C 167 167 ARG D Protein B 3 FT #SUB 166 166 TYR C 168 168 ASP D Protein B 1 FT #SUB 167 167 ARG C 166 166 TYR D Protein B 3 FT #SUB 167 167 ARG C 168 168 ASP D Protein A 8 FT #SUB 168 168 ASP C 166 166 TYR D Protein B 1 FT #SUB 168 168 ASP C 168 168 ASP D Protein A 5 FT #SUB 169 169 GLN C 168 168 ASP D Protein B 1 FT #SUB 218 218 LYS C 135 135 ALA D Protein S 3 FT #SUB 222 222 ASP C 135 135 ALA D Protein S 2 FT #HET 51 51 TYR C 26 505 EDO C S 1 FT #HET 69 69 LYS C 22 501 HEM C S 6 FT #HET 72 72 SER C 24 503 MPD C S 5 FT #HET 75 75 LEU C 22 501 HEM C S 1 FT #HET 75 75 LEU C 23 502 CL6 C S 1 FT #HET 75 75 LEU C 24 503 MPD C S 1 FT #HET 79 79 ARG C 28 507 EDO C B 1 FT #HET 81 81 PHE C 25 504 MPD C A 2 FT #HET 82 82 PHE C 23 502 CL6 C S 1 FT #HET 86 86 LEU C 22 501 HEM C A 5 FT #HET 87 87 VAL C 22 501 HEM C S 4 FT #HET 87 87 VAL C 23 502 CL6 C S 9 FT #HET 90 90 TRP C 29 508 PGE C S 4 FT #HET 92 92 HIS C 29 508 PGE C S 7 FT #HET 96 96 TRP C 22 501 HEM C S 6 FT #HET 107 107 PHE C 22 501 HEM C S 2 FT #HET 121 121 ASP C 35 506 EDO D S 4 FT #HET 161 161 ARG C 35 506 EDO D S 2 FT #HET 178 178 VAL C 27 506 EDO C S 1 FT #HET 181 181 LEU C 27 506 EDO C S 2 FT #HET 213 213 ASN C 25 504 MPD C S 5 FT #HET 216 216 VAL C 25 504 MPD C S 1 FT #HET 255 255 ARG C 25 504 MPD C A 6 FT #HET 256 256 TYR C 25 504 MPD C A 3 FT #HET 256 256 TYR C 28 507 EDO C S 1 FT #HET 260 260 THR C 23 502 CL6 C B 1 FT #HET 261 261 PHE C 22 501 HEM C S 3 FT #HET 263 263 ILE C 27 506 EDO C S 1 FT #HET 264 264 ALA C 22 501 HEM C A 8 FT #HET 264 264 ALA C 23 502 CL6 C A 10 FT #HET 265 265 GLY C 22 501 HEM C B 1 FT #HET 267 267 GLU C 23 502 CL6 C S 3 FT #HET 267 267 GLU C 27 506 EDO C S 7 FT #HET 268 268 THR C 22 501 HEM C A 11 FT #HET 268 268 THR C 23 502 CL6 C S 5 FT #HET 269 269 THR C 22 501 HEM C A 3 FT #HET 327 327 THR C 22 501 HEM C S 1 FT #HET 328 328 ALA C 22 501 HEM C S 1 FT #HET 328 328 ALA C 23 502 CL6 C S 2 FT #HET 329 329 PRO C 24 503 MPD C A 2 FT #HET 330 330 ALA C 23 502 CL6 C B 1 FT #HET 330 330 ALA C 24 503 MPD C B 4 FT #HET 331 331 PHE C 22 501 HEM C S 4 FT #HET 334 334 TYR C 29 508 PGE C S 2 FT #HET 350 350 GLY C 29 508 PGE C B 2 FT #HET 392 392 PRO C 22 501 HEM C B 3 FT #HET 393 393 PHE C 22 501 HEM C A 11 FT #HET 394 394 GLY C 22 501 HEM C B 2 FT #HET 398 398 ARG C 22 501 HEM C A 9 FT #HET 399 399 ALA C 22 501 HEM C B 1 FT #HET 400 400 CYS C 22 501 HEM C A 27 FT #HET 401 401 ILE C 22 501 HEM C S 2 FT #HET 402 402 GLY C 22 501 HEM C B 7 FT #HET 405 405 PHE C 22 501 HEM C S 2 FT #HET 406 406 ALA C 22 501 HEM C S 3 FT #HET 437 437 LEU C 23 502 CL6 C A 6 FT #HET 437 437 LEU C 24 503 MPD C B 1 FT #HET 438 438 THR C 23 502 CL6 C A 3 FT DISORDER 457 458 CC SEQUENCE 456 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV CC DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA CC LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG CC KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD CC PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL CC HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH CC FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ************************************************** CC SEQRES NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ATOM NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ************************************************** CC SEQRES DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ATOM DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ************************************************** CC SEQRES NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ATOM NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ************************************************** CC SEQRES DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ATOM DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ************************************************** CC SEQRES PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ATOM PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ************************************************** CC SEQRES DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ATOM DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ************************************************** CC SEQRES IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ATOM IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ************************************************** CC SEQRES KKIPLGGI CC ATOM KKIPLG-- CC ****** SQ SEQUENCE 458 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLGGI // ID 6H1TD STANDARD; PRT; 458 AA. DT CONVERTED FROM PDB (SEQRES) 6H1T DE Bifunctional cytochrome P450/NADPH--P450 reductase OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.080 CC R-Factor 0.169 FT #SUB 428 428 ASN D 108 108 SER B Protein S 2 FT #SUB 430 430 GLU D 109 109 GLN B Protein S 3 FT #SUB 430 430 GLU D 110 110 GLN B Protein S 3 FT #SUB 430 430 GLU D 113 113 LYS B Protein S 6 FT #SUB 125 125 GLN D 132 132 ARG C Protein S 10 FT #SUB 128 128 GLN D 166 166 TYR C Protein B 2 FT #SUB 129 129 LYS D 166 166 TYR C Protein A 7 FT #SUB 132 132 ARG D 125 125 GLN C Protein S 13 FT #SUB 132 132 ARG D 161 161 ARG C Protein A 7 FT #SUB 132 132 ARG D 163 163 ASN C Protein A 5 FT #SUB 132 132 ARG D 166 166 TYR C Protein S 4 FT #SUB 134 134 ASN D 160 160 TYR C Protein S 8 FT #SUB 134 134 ASN D 161 161 ARG C Protein S 9 FT #SUB 135 135 ALA D 218 218 LYS C Protein B 3 FT #SUB 135 135 ALA D 222 222 ASP C Protein S 2 FT #SUB 160 160 TYR D 134 134 ASN C Protein A 8 FT #SUB 161 161 ARG D 132 132 ARG C Protein S 8 FT #SUB 161 161 ARG D 134 134 ASN C Protein A 9 FT #SUB 163 163 ASN D 132 132 ARG C Protein S 5 FT #SUB 165 165 PHE D 165 165 PHE C Protein B 1 FT #SUB 165 165 PHE D 166 166 TYR C Protein B 5 FT #SUB 166 166 TYR D 128 128 GLN C Protein S 2 FT #SUB 166 166 TYR D 129 129 LYS C Protein S 6 FT #SUB 166 166 TYR D 132 132 ARG C Protein S 4 FT #SUB 166 166 TYR D 165 165 PHE C Protein A 5 FT #SUB 166 166 TYR D 166 166 TYR C Protein B 3 FT #SUB 166 166 TYR D 167 167 ARG C Protein B 3 FT #SUB 166 166 TYR D 168 168 ASP C Protein B 1 FT #SUB 167 167 ARG D 166 166 TYR C Protein B 3 FT #SUB 168 168 ASP D 166 166 TYR C Protein B 1 FT #SUB 168 168 ASP D 167 167 ARG C Protein S 8 FT #SUB 168 168 ASP D 168 168 ASP C Protein A 5 FT #SUB 168 168 ASP D 169 169 GLN C Protein S 1 FT #SUB 218 218 LYS D 135 135 ALA C Protein S 3 FT #SUB 222 222 ASP D 135 135 ALA C Protein S 1 FT #SUB 222 222 ASP D 136 136 ASP C Protein S 1 FT #SUB 458 458 ILE D 132 132 ARG C Protein S 1 FT #HET 69 69 LYS D 30 501 HEM D S 6 FT #HET 72 72 SER D 32 503 MPD D S 5 FT #HET 74 74 ALA D 32 503 MPD D S 1 FT #HET 75 75 LEU D 30 501 HEM D S 1 FT #HET 75 75 LEU D 31 502 CL6 D S 2 FT #HET 75 75 LEU D 32 503 MPD D S 3 FT #HET 81 81 PHE D 33 504 MPD D B 4 FT #HET 82 82 PHE D 31 502 CL6 D S 1 FT #HET 83 83 GLY D 37 508 EDO D B 1 FT #HET 86 86 LEU D 30 501 HEM D A 7 FT #HET 87 87 VAL D 30 501 HEM D A 5 FT #HET 87 87 VAL D 31 502 CL6 D S 8 FT #HET 90 90 TRP D 38 509 PEG D S 4 FT #HET 92 92 HIS D 38 509 PEG D S 4 FT #HET 96 96 TRP D 30 501 HEM D S 5 FT #HET 107 107 PHE D 30 501 HEM D S 2 FT #HET 132 132 ARG D 35 506 EDO D S 8 FT #HET 153 153 ILE D 30 501 HEM D S 1 FT #HET 177 177 MET D 36 507 EDO D S 1 FT #HET 181 181 LEU D 36 507 EDO D S 2 FT #HET 209 209 ILE D 33 504 MPD D S 1 FT #HET 212 212 MET D 33 504 MPD D S 1 FT #HET 213 213 ASN D 33 504 MPD D S 5 FT #HET 216 216 VAL D 33 504 MPD D S 1 FT #HET 255 255 ARG D 33 504 MPD D A 4 FT #HET 256 256 TYR D 33 504 MPD D S 2 FT #HET 256 256 TYR D 37 508 EDO D S 1 FT #HET 259 259 ILE D 33 504 MPD D S 1 FT #HET 260 260 THR D 31 502 CL6 D B 1 FT #HET 261 261 PHE D 30 501 HEM D S 3 FT #HET 263 263 ILE D 36 507 EDO D S 1 FT #HET 264 264 ALA D 30 501 HEM D A 9 FT #HET 264 264 ALA D 31 502 CL6 D A 9 FT #HET 265 265 GLY D 30 501 HEM D B 2 FT #HET 267 267 GLU D 31 502 CL6 D S 2 FT #HET 267 267 GLU D 36 507 EDO D S 7 FT #HET 268 268 THR D 30 501 HEM D A 11 FT #HET 268 268 THR D 31 502 CL6 D S 3 FT #HET 269 269 THR D 30 501 HEM D A 2 FT #HET 327 327 THR D 30 501 HEM D S 2 FT #HET 328 328 ALA D 30 501 HEM D S 1 FT #HET 328 328 ALA D 31 502 CL6 D S 2 FT #HET 329 329 PRO D 32 503 MPD D S 1 FT #HET 330 330 ALA D 32 503 MPD D B 5 FT #HET 331 331 PHE D 30 501 HEM D S 3 FT #HET 334 334 TYR D 38 509 PEG D S 1 FT #HET 366 366 ILE D 34 505 MPO D A 3 FT #HET 367 367 TRP D 34 505 MPO D S 2 FT #HET 375 375 ARG D 34 505 MPO D S 7 FT #HET 378 378 ARG D 34 505 MPO D A 3 FT #HET 384 384 ALA D 34 505 MPO D B 1 FT #HET 385 385 ILE D 34 505 MPO D A 3 FT #HET 386 386 PRO D 34 505 MPO D S 2 FT #HET 392 392 PRO D 30 501 HEM D B 3 FT #HET 393 393 PHE D 30 501 HEM D A 12 FT #HET 394 394 GLY D 30 501 HEM D B 2 FT #HET 398 398 ARG D 30 501 HEM D A 8 FT #HET 399 399 ALA D 30 501 HEM D B 1 FT #HET 400 400 CYS D 30 501 HEM D A 30 FT #HET 401 401 ILE D 30 501 HEM D S 2 FT #HET 402 402 GLY D 30 501 HEM D B 8 FT #HET 405 405 PHE D 30 501 HEM D S 1 FT #HET 406 406 ALA D 30 501 HEM D S 3 FT #HET 437 437 LEU D 31 502 CL6 D A 6 FT #HET 437 437 LEU D 32 503 MPD D B 1 FT #HET 438 438 THR D 31 502 CL6 D A 4 FT DISORDER 192 193 CC SEQUENCE 456 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV CC DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA CC LDEAMNKLQR ADDPAYDENK RQFQEDIKVM NDLVDKIIAD RKASGEQSDD LLTHMLNGKD CC PETGEPLDDE NIRYQIITFL IAGHETTSGL LSFALYFLVK NPHVLQKAAE EAARVLVDPV CC PSYKQVKQLK YVGMVLNEAL RLWPTAPAFS LYAKEDTVLG GEYPLEKGDE LMVLIPQLHR CC DKTIWGDDVE EFRPERFENP SAIPQHAFKP FGNGQRACIG QQFALHEATL VLGMMLKHFD CC FEDHTNYELD IKETLTLKPE GFVVKAKSKK IPLGGI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ************************************************** CC SEQRES NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ATOM NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ************************************************** CC SEQRES DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ATOM DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRA--DDPAYDE CC ***************************************** ******* CC SEQRES NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ATOM NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ************************************************** CC SEQRES DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ATOM DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ************************************************** CC SEQRES PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ATOM PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ************************************************** CC SEQRES DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ATOM DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ************************************************** CC SEQRES IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ATOM IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ************************************************** CC SEQRES KKIPLGGI CC ATOM KKIPLGGI CC ******** SQ SEQUENCE 458 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLGGI //