PDB entry 4dua

View 4dua on RCSB PDB site
Description: cytochrome P450 BM3h-9D7 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 2.03 freeze date was dated 2012-08-29, with a file datestamp of 2012-08-24.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.163
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome P450 BM3 variant 9D7
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • enginnered mutation (262)
      • enginnered mutation (267)
      • enginnered mutation (327)
      • enginnered mutation (437)
    Domains in SCOPe 2.03: d4duaa_
  • Chain 'B':
    Compound: cytochrome P450 BM3 variant 9D7
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • enginnered mutation (262)
      • enginnered mutation (267)
      • enginnered mutation (327)
      • enginnered mutation (437)
    Domains in SCOPe 2.03: d4duab_
  • Heterogens: HEM, PGE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4duaA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitflaagheatsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptgpafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlvlkpegfvvkakskkiplggipspstlehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4duaA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitflaagheatsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptgpafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlvlkpegfvvkakskkiplgg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4duaB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitflaagheatsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptgpafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlvlkpegfvvkakskkiplggipspstlehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4duaB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitflaagheatsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptgpafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlvlkpegfvvkakskkiplgg