PDB entry 4due

View 4due on RCSB PDB site
Description: cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin
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 2.04 freeze date was dated 2012-08-29, with a file datestamp of 2012-08-24.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.17
AEROSPACI score: 0.57 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome P450 BM3 variant 2G9C6
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (49)
      • engineered mutation (86)
      • engineered mutation (267)
      • engineered mutation (436-437)
    Domains in SCOPe 2.04: d4duea_
  • Chain 'B':
    Compound: cytochrome P450 BM3 variant 2G9C6
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (49)
      • engineered mutation (86)
      • engineered mutation (267)
      • engineered mutation (436-437)
    Domains in SCOPe 2.04: d4dueb_
  • Heterogens: HEM, SRO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4dueA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlike
acdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketqllkpegfvvkakskkiplggipspstlehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4dueA (A:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
deamnklqraddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdp
etgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdpvp
sykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrd
ktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdf
edhtnyeldiketqllkpegfvvkakskkiplg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4dueB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlike
acdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketqllkpegfvvkakskkiplggipspstlehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4dueB (B:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
deamnklqrpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdpetg
eplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdpvpsyk
qvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkti
wgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedh
tnyeldiketqllkpegfvvkakskkiplg