PDB entry 4o4p

View 4o4p on RCSB PDB site
Description: Structure of P450 BM3 A82F F87V in complex with S-omeprazol
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: P450, monoxygenase, Oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2013-12-19, released 2014-01-29
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-05-28, with a file datestamp of 2014-05-23.
Experiment type: XRAY
Resolution: 1.83 Å
R-factor: 0.188
AEROSPACI score: 0.43 (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: d4o4pa_
  • 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: d4o4pb_
  • Heterogens: HEM, 1C6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4o4pA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >4o4pA (A:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkassddllthmlngkdpet
geplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsy
kqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkt
iwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfed
htnyeldiketltlkpegfvvkakskkipl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4o4pB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkipl

    Sequence, based on observed residues (ATOM records): (download) 
    >4o4pB (B:)
empqpgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeacdesr
fdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammvdiavql
vqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvraldeamn
klqranpddpaydenkrqfqedikvmndlvdkiiadrkassddllthmlngkdpetgepl
ddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvk
qlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgd
dveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtny
eldiketltlkpegfvvkakskkipl