PDB entry 4duc

View 4duc on RCSB PDB site
Description: cytochrome P450 BM3h-2G9 MRI sensor, no ligand
Class: oxidoreductase
Keywords: cytochrome P450, MRI contrast sensor, directed evolution, OXIDOREDUCTASE
Deposited on 2012-02-21, released 2012-06-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-08-29, with a file datestamp of 2012-08-24.
Experiment type: XRAY
Resolution: 1.92 Å
R-factor: 0.187
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome P450 BM3 variant 2G9
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (50)
      • engineered mutation (87)
      • engineered mutation (268)
      • engineered mutation (438)
    Domains in SCOPe 2.07: d4duca_
  • Chain 'B':
    Compound: cytochrome P450 BM3 variant 2G9
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (50)
      • engineered mutation (87)
      • engineered mutation (268)
      • engineered mutation (438)
    Domains in SCOPe 2.07: d4ducb_
  • Heterogens: HEM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ducA (A:)
    mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlik
    eacdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhamm
    vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
    aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
    gkdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlv
    dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
    lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
    hfdfedhtnyeldiketlllkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ducA (A:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
    cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
    dpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
    dfedhtnyeldiketlllkpegfvvkakskkiplgg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ducB (B:)
    mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlik
    eacdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhamm
    vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
    aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
    gkdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlv
    dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
    lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
    hfdfedhtnyeldiketlllkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ducB (B:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
    cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
    dpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
    dfedhtnyeldiketlllkpegfvvkakskkiplgg