PDB entry 1smj

View 1smj on RCSB PDB site
Description: Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate
Class: oxidoreductase
Keywords: monooxygenase; fatty acid oxygenase; cytochrome P450; substrate binding; palmitoleate
Deposited on 2004-03-09, released 2004-06-08
The last revision prior to the SCOP 1.73 freeze date was dated 2004-06-08, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.258
AEROSPACI score: 0.16 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: bifunctional p-450:nadph-p450 reductase
    Species: Bacillus megaterium
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • engineered (263)
    Domains in SCOP 1.73: d1smja_
  • Chain 'B':
    Compound: bifunctional p-450:nadph-p450 reductase
    Species: Bacillus megaterium
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • engineered (263)
    Domains in SCOP 1.73: d1smjb_
  • Chain 'C':
    Compound: bifunctional p-450:nadph-p450 reductase
    Species: Bacillus megaterium
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • engineered (263)
    Domains in SCOP 1.73: d1smjc_
  • Chain 'D':
    Compound: bifunctional p-450:nadph-p450 reductase
    Species: Bacillus megaterium
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered (263)
    Domains in SCOP 1.73: d1smjd_
  • Heterogens: HEM, PAM

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1smjA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspsteqsakkvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >1smjA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1smjB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspsteqsakkvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >1smjB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1smjC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspsteqsakkvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >1smjC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >1smjD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspsteqsakkvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >1smjD (D:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
    dpetgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
    dfedhtnyeldiketltlkpegfvvkakskkipl