PDB entry 4hgg

View 4hgg on RCSB PDB site
Description: Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene
Class: oxidoreductase
Keywords: oxidoreductase, P450 BM3, hemoprotein, styrene epoxidation, inverted enantioselectivity, Heme binding
Deposited on 2012-10-08, released 2013-05-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.41 (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: cyp102, CYP102A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (Start-454)
      • engineered mutation (86)
      • engineered mutation (183)
      • engineered mutation (234)
    Domains in SCOPe 2.07: d4hgga_
  • Chain 'B':
    Compound: Bifunctional P-450/NADPH-P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: cyp102, CYP102A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (Start-454)
      • engineered mutation (86)
      • engineered mutation (183)
      • engineered mutation (234)
    Domains in SCOPe 2.07: d4hggb_
  • Heterogens: HEM, SYN, MES, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4hggA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldermnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllahmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkipl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hggA (A:)
    kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
    desrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvdi
    avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
    ermqfqedikvmndlvdkiiadrkasgeqsddllahmlngkdpetgeplddeniryqiit
    fliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlkyvgmvlne
    alrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrperfe
    npsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldiketltlk
    pegfvvkakskkipl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4hggB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldermnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllahmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkipl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hggB (B:)
    kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
    desrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvdi
    avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
    ermnkenkrqfqedikvmndlvdkiiadrkasgeqsddllahmlngkdpetgeplddeni
    ryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlkyv
    gmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveef
    rperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldik
    etltlkpegfvvkakskkipl