PDB entry 4hgf

View 4hgf on RCSB PDB site
Description: Crystal structure of P450 BM3 5F5K 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 2.03 freeze date was dated 2013-05-08, with a file datestamp of 2013-05-03.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.19
AEROSPACI score: 0.55 (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 (0-454)
      • engineered mutation (86)
      • engineered mutation (183)
      • engineered mutation (234)
    Domains in SCOPe 2.03: d4hgfa_
  • 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 2.03: d4hgfb_
  • Heterogens: HEM, SYN, CL, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4hgfA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldekmdenkrqfqedikvmndlvdkiiadrkasgeqsddllahmlngkdpetgepldden
iryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlky
vgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddvee
frperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldi
ketltlkpegfvvkakskkipl

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4hgfB (B:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
cdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
dekmdenkrqfqedikvmndlvdkiiadrkasgeqsddllahmlngkdpetgeplddeni
ryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlkyv
gmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveef
rperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldik
etltlkpegfvvkakskkipl