PDB entry 6h1s

View 6h1s on RCSB PDB site
Description: Structure of the BM3 heme domain in complex with fluconazole
Class: oxidoreductase
Keywords: P450, azole inhibitor, heme ligation, P450 BM3, OXIDOREDUCTASE
Deposited on 2018-07-12, released 2019-02-20
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-02-20, with a file datestamp of 2019-02-15.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (Start-456)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.07: d6h1sa_
  • Chain 'B':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.07: d6h1sb_
  • Heterogens: TPF, HEM, PO4, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6h1sA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplgg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6h1sA (A:)
    mpqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeacde
    srfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammvdiav
    qlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvraldea
    mnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdpe
    tgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvps
    ykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
    tiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfe
    dhtnyeldiketltlkpegfvvkakskkiplgg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6h1sB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplgg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6h1sB (B:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdpetgepldden
    iryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsykqvkqlky
    vgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddvee
    frperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedhtnyeldi
    ketltlkpegfvvkakskkiplg