PDB entry 3dgi

View 3dgi on RCSB PDB site
Description: Crystal structure of F87A/T268A mutant of CYP BM3
Class: oxidoreductase
Keywords: cytochrome P450, BM3, DMSO, Cytoplasm, Electron transport, FAD, Flavoprotein, FMN, Heme, Iron, Metal-binding, Monooxygenase, Multifunctional enzyme, NADP, Oxidoreductase, Transport
Deposited on 2008-06-13, released 2009-06-16
The last revision prior to the SCOPe 2.02 freeze date was dated 2009-06-16, with a file datestamp of 2009-06-12.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.179
AEROSPACI score: 0.48 (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 (86)
      • engineered (267)
    Domains in SCOPe 2.02: d3dgia_
  • 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 (86)
      • engineered (267)
    Domains in SCOPe 2.02: d3dgib_
  • Heterogens: HEM, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3dgiA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliagheatsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkiplhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dgiA (A:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasddllthmlngkdpetg
eplddeniryqiitfliagheatsgllsfalyflvknphvlqkaaeeaarvlvdpvpsyk
qvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkti
wgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedh
tnyeldiketltlkpegfvvkakskkipl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3dgiB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliagheatsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkiplhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dgiB (B:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrafq
edikvmndlvdkiiadrkasddllthmlngkdpetgeplddeniryqiitfliagheats
gllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlkyvgmvlnealrlwptapa
fslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrperfenpsaipqhaf
kpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldiketltlkpegfvvkaks
kkipl