PDB entry 1smi

View 1smi on RCSB PDB site
Description: A single mutation of P450 BM3 induces the conformational rearrangement seen upon substrate-binding in wild-type enzyme
Class: oxidoreductase
Keywords: monooxygenase; fatty acid oxygenase; cytochrome P450; substrate binding
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 Å
R-factor: 0.227
AEROSPACI score: 0.39 (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: d1smia_
  • Chain 'B':
    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: d1smib_
  • Heterogens: HEM, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >1smiA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranqfqedikvmndlvdkiiadrkaddllthmlngkdpetgeplddeniryq
    iitflieghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlkyvgmv
    lnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrpe
    rfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldiketl
    tlkpegfvvkakskkiplg
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >1smiB (B:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasqsddllthmlngkdp
    etgeplddeniryqiitflieghettsgllsfalyflvknphvlqkaaeeaarvlvdpvp
    sykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrd
    ktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdf
    edhtnyeldiketltlkpegfvvkakskkiplggi