PDB entry 5xa3

View 5xa3 on RCSB PDB site
Description: Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
Class: oxidoreductase
Keywords: Cytochrome P450, OXIDOREDUCTASE
Deposited on 2017-03-10, released 2018-02-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-02-21, with a file datestamp of 2018-02-16.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional cytochrome P450/NADPH-P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5xa3a_
  • Chain 'B':
    Compound: Bifunctional cytochrome P450/NADPH-P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5xa3b_
  • Chain 'C':
    Compound: Bifunctional cytochrome P450/NADPH-P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5xa3c_
  • Chain 'D':
    Compound: Bifunctional cytochrome P450/NADPH-P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5xa3d_
  • Heterogens: HEM, DMS, PRO, PHE, PHQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5xa3A (A:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
gkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >5xa3A (A:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
petgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpv
psykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhr
dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfd
fedhtnyeldiketltlkpegfvvkakskkipl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5xa3B (B:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
gkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >5xa3B (B:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
petgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpv
psykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhr
dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfd
fedhtnyeldiketltlkpegfvvkakskkipl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5xa3C (C:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
gkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >5xa3C (C:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
petgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpv
psykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhr
dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfd
fedhtnyeldiketltlkpegfvvkakskkipl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5xa3D (D:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
gkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >5xa3D (D:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
petgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpv
psykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhr
dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfd
fedhtnyeldiketltlkpegfvvkakskkipl