ID 1BU7A STANDARD; PRT; 455 AA. DT CONVERTED FROM PDB (SEQRES) 1BU7 DE PROTEIN (CYTOCHROME P450) OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.197 FT #SUB 125 125 GLN A 132 132 ARG B Protein S 11 FT #SUB 128 128 GLN A 166 166 TYR B Protein B 2 FT #SUB 129 129 LYS A 166 166 TYR B Protein A 7 FT #SUB 132 132 ARG A 125 125 GLN B Protein S 11 FT #SUB 132 132 ARG A 161 161 ARG B Protein A 6 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 10 FT #SUB 134 134 ASN A 161 161 ARG B Protein S 9 FT #SUB 137 137 GLU A 160 160 TYR B Protein S 1 FT #SUB 160 160 TYR A 134 134 ASN B Protein A 8 FT #SUB 160 160 TYR A 137 137 GLU B Protein S 1 FT #SUB 161 161 ARG A 132 132 ARG B Protein S 5 FT #SUB 161 161 ARG A 134 134 ASN B Protein A 9 FT #SUB 163 163 ASN A 132 132 ARG B Protein S 5 FT #SUB 165 165 PHE A 165 165 PHE B Protein B 1 FT #SUB 165 165 PHE A 166 166 TYR B Protein B 7 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 3 FT #SUB 166 166 TYR A 167 167 ARG B Protein B 5 FT #SUB 167 167 ARG A 166 166 TYR B Protein B 1 FT #SUB 167 167 ARG A 168 168 ASP B Protein A 3 FT #SUB 168 168 ASP A 167 167 ARG B Protein S 2 FT #SUB 168 168 ASP A 168 168 ASP B Protein A 9 FT #SUB 169 169 GLN A 168 168 ASP B Protein A 7 FT #HET 26 26 VAL A 6 1013 EDO A S 2 FT #HET 69 69 LYS A 1 999 HEM A S 7 FT #HET 75 75 LEU A 1 999 HEM A S 1 FT #HET 86 86 LEU A 1 999 HEM A A 6 FT #HET 87 87 PHE A 1 999 HEM A A 7 FT #HET 90 90 TRP A 7 1014 EDO A S 2 FT #HET 92 92 HIS A 7 1014 EDO A S 4 FT #HET 96 96 TRP A 1 999 HEM A S 6 FT #HET 100 100 HIS A 2 1001 EDO A S 2 FT #HET 104 104 LEU A 2 1001 EDO A S 1 FT #HET 107 107 PHE A 1 999 HEM A S 1 FT #HET 130 130 TRP A 4 1003 EDO A B 4 FT #HET 131 131 GLU A 4 1003 EDO A B 1 FT #HET 133 133 LEU A 3 1002 EDO A S 2 FT #HET 133 133 LEU A 4 1003 EDO A A 4 FT #HET 134 134 ASN A 3 1002 EDO A B 1 FT #HET 135 135 ALA A 3 1002 EDO A B 1 FT #HET 137 137 GLU A 3 1002 EDO A B 3 FT #HET 138 138 HIS A 3 1002 EDO A B 2 FT #HET 139 139 ILE A 3 1002 EDO A S 1 FT #HET 264 264 ALA A 1 999 HEM A B 1 FT #HET 265 265 GLY A 1 999 HEM A B 5 FT #HET 268 268 THR A 1 999 HEM A A 12 FT #HET 269 269 THR A 1 999 HEM A A 4 FT #HET 272 272 LEU A 1 999 HEM A S 1 FT #HET 289 289 LYS A 5 1008 EDO A A 9 FT #HET 292 292 GLU A 5 1008 EDO A A 3 FT #HET 293 293 GLU A 5 1008 EDO A A 3 FT #HET 296 296 ARG A 5 1008 EDO A S 8 FT #HET 327 327 THR A 1 999 HEM A S 1 FT #HET 328 328 ALA A 1 999 HEM A S 2 FT #HET 329 329 PRO A 6 1013 EDO A S 3 FT #HET 331 331 PHE A 1 999 HEM A S 4 FT #HET 334 334 TYR A 7 1014 EDO A S 7 FT #HET 392 392 PRO A 1 999 HEM A B 3 FT #HET 393 393 PHE A 1 999 HEM A A 10 FT #HET 394 394 GLY A 1 999 HEM A B 1 FT #HET 396 396 GLY A 2 1001 EDO A B 2 FT #HET 397 397 GLN A 2 1001 EDO A B 6 FT #HET 398 398 ARG A 1 999 HEM A A 8 FT #HET 399 399 ALA A 1 999 HEM A B 1 FT #HET 399 399 ALA A 2 1001 EDO A B 4 FT #HET 400 400 CYS A 1 999 HEM A A 21 FT #HET 400 400 CYS A 2 1001 EDO A B 3 FT #HET 401 401 ILE A 1 999 HEM A A 3 FT #HET 401 401 ILE A 2 1001 EDO A A 5 FT #HET 402 402 GLY A 1 999 HEM A B 6 FT #HET 406 406 ALA A 1 999 HEM A S 3 FT #HET 435 435 GLU A 6 1013 EDO A S 4 FT #HET 436 436 THR A 6 1013 EDO A B 4 FT #HET 437 437 LEU A 6 1013 EDO A B 4 FT #HET 447 447 LYS A 3 1002 EDO A A 3 FT #HET 448 448 ALA A 3 1002 EDO A A 10 FT #HET 448 448 ALA A 4 1003 EDO A A 4 CC SEQUENCE 455 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FAGDGLFTSW 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 KKIPL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAH 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 KKIPL CC ATOM KKIPL CC ***** SQ SEQUENCE 455 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FAGDGLFTSW 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 KKIPL // ID 1BU7B STANDARD; PRT; 455 AA. DT CONVERTED FROM PDB (SEQRES) 1BU7 DE PROTEIN (CYTOCHROME P450) OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.197 FT #SUB 125 125 GLN B 132 132 ARG A Protein S 11 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 11 FT #SUB 132 132 ARG B 161 161 ARG A Protein A 5 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 8 FT #SUB 134 134 ASN B 161 161 ARG A Protein S 9 FT #SUB 137 137 GLU B 160 160 TYR A Protein S 1 FT #SUB 160 160 TYR B 134 134 ASN A Protein A 10 FT #SUB 160 160 TYR B 137 137 GLU A Protein S 1 FT #SUB 161 161 ARG B 132 132 ARG A Protein S 6 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 165 165 PHE A Protein B 1 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 2 FT #SUB 166 166 TYR B 129 129 LYS A Protein S 7 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 7 FT #SUB 166 166 TYR B 166 166 TYR A Protein B 3 FT #SUB 166 166 TYR B 167 167 ARG A Protein B 1 FT #SUB 167 167 ARG B 166 166 TYR A Protein B 5 FT #SUB 167 167 ARG B 168 168 ASP A Protein A 2 FT #SUB 168 168 ASP B 167 167 ARG A Protein S 3 FT #SUB 168 168 ASP B 168 168 ASP A Protein S 9 FT #SUB 168 168 ASP B 169 169 GLN A Protein S 7 FT #HET 25 25 PRO B 14 1010 EDO B S 4 FT #HET 26 26 VAL B 14 1010 EDO B S 1 FT #HET 27 27 GLN B 15 1011 EDO B A 4 FT #HET 29 29 LEU B 14 1010 EDO B S 1 FT #HET 30 30 MET B 15 1011 EDO B S 1 FT #HET 31 31 LYS B 15 1011 EDO B S 2 FT #HET 47 47 ARG B 13 1009 EDO B S 2 FT #HET 51 51 TYR B 14 1010 EDO B S 4 FT #HET 69 69 LYS B 8 1000 HEM B S 7 FT #HET 72 72 SER B 13 1009 EDO B A 7 FT #HET 73 73 GLN B 13 1009 EDO B A 4 FT #HET 75 75 LEU B 8 1000 HEM B S 1 FT #HET 86 86 LEU B 8 1000 HEM B A 6 FT #HET 87 87 PHE B 8 1000 HEM B A 6 FT #HET 96 96 TRP B 8 1000 HEM B S 6 FT #HET 100 100 HIS B 9 1004 EDO B S 2 FT #HET 104 104 LEU B 9 1004 EDO B S 1 FT #HET 107 107 PHE B 8 1000 HEM B S 1 FT #HET 130 130 TRP B 10 1005 EDO B B 4 FT #HET 131 131 GLU B 10 1005 EDO B B 1 FT #HET 133 133 LEU B 10 1005 EDO B A 5 FT #HET 133 133 LEU B 11 1006 EDO B S 2 FT #HET 134 134 ASN B 11 1006 EDO B B 1 FT #HET 137 137 GLU B 11 1006 EDO B B 3 FT #HET 138 138 HIS B 11 1006 EDO B B 1 FT #HET 139 139 ILE B 11 1006 EDO B S 1 FT #HET 181 181 LEU B 16 1012 EDO B S 2 FT #HET 245 245 THR B 12 1007 EDO B B 2 FT #HET 246 246 GLY B 12 1007 EDO B B 2 FT #HET 247 247 GLU B 12 1007 EDO B S 1 FT #HET 260 260 THR B 8 1000 HEM B S 1 FT #HET 261 261 PHE B 8 1000 HEM B B 1 FT #HET 263 263 ILE B 16 1012 EDO B A 6 FT #HET 264 264 ALA B 8 1000 HEM B A 5 FT #HET 264 264 ALA B 16 1012 EDO B B 3 FT #HET 265 265 GLY B 8 1000 HEM B B 5 FT #HET 266 266 HIS B 16 1012 EDO B S 1 FT #HET 268 268 THR B 8 1000 HEM B A 13 FT #HET 269 269 THR B 8 1000 HEM B A 5 FT #HET 272 272 LEU B 8 1000 HEM B S 1 FT #HET 325 325 TRP B 15 1011 EDO B S 3 FT #HET 327 327 THR B 8 1000 HEM B S 1 FT #HET 328 328 ALA B 8 1000 HEM B S 2 FT #HET 331 331 PHE B 8 1000 HEM B S 3 FT #HET 354 354 MET B 13 1009 EDO B S 1 FT #HET 392 392 PRO B 8 1000 HEM B B 3 FT #HET 393 393 PHE B 8 1000 HEM B A 12 FT #HET 394 394 GLY B 8 1000 HEM B B 2 FT #HET 396 396 GLY B 9 1004 EDO B B 2 FT #HET 397 397 GLN B 9 1004 EDO B B 5 FT #HET 398 398 ARG B 8 1000 HEM B A 10 FT #HET 399 399 ALA B 8 1000 HEM B B 1 FT #HET 399 399 ALA B 9 1004 EDO B B 4 FT #HET 400 400 CYS B 8 1000 HEM B A 26 FT #HET 400 400 CYS B 9 1004 EDO B B 2 FT #HET 401 401 ILE B 8 1000 HEM B S 2 FT #HET 401 401 ILE B 9 1004 EDO B A 6 FT #HET 402 402 GLY B 8 1000 HEM B B 5 FT #HET 406 406 ALA B 8 1000 HEM B S 4 FT #HET 437 437 LEU B 16 1012 EDO B S 5 FT #HET 447 447 LYS B 11 1006 EDO B A 4 FT #HET 448 448 ALA B 10 1005 EDO B B 3 FT #HET 448 448 ALA B 11 1006 EDO B A 11 CC SEQUENCE 455 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FAGDGLFTSW 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 KKIPL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAH 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 KKIPL CC ATOM KKIPL CC ***** SQ SEQUENCE 455 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FAGDGLFTSW 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 KKIPL //