PDB entry 4key

View 4key on RCSB PDB site
Description: Structure of P450 BM3 A82F F87V in complex with omeprazole
Class: Oxidoreductase/Oxidoreductase inhibitor
Keywords: P450 heme domain, monooxygenase, Oxidoreductase-Oxidoreductase inhibitor complex
Deposited on 2013-04-26, released 2013-07-10
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-10-02, with a file datestamp of 2013-09-27.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.189
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional P-450/NADPH-P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (Start-454)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.08: d4keya_
  • Chain 'B':
    Compound: Bifunctional P-450/NADPH-P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (Start-454)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.08: d4keyb_
  • Heterogens: HEM, 1C6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4keyA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >4keyA (A:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkassddllthmlngkdpet
geplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsy
kqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkt
iwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfed
htnyeldiketltlkpegfvvkakskkipl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4keyB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >4keyB (B:)
kempqpknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeacdesrfd
knlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammvdiavqlvq
kwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvraldeamnkl
qranpddpaydenkrqfqedikvmndlvdkiiadrksddllthmlngkdpetgepldden
iryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlky
vgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddvee
frperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldi
ketltlkpegfvvkakskkipl