PDB entry 6h1t

View 6h1t on RCSB PDB site
Description: Structure of the BM3 heme domain in complex with clotrimazole
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: 2.08 Å
R-factor: N/A
AEROSPACI score: 0.3 (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: BTA37_15100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A1Q8UP87 (0-End)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.07: d6h1ta_
  • Chain 'B':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: BTA37_15100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A1Q8UP87 (0-End)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.07: d6h1tb_
  • Chain 'C':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: BTA37_15100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A1Q8UP87 (0-End)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.07: d6h1tc_
  • Chain 'D':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium [TaxId:1404]
    Gene: BTA37_15100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A1Q8UP87 (0-457)
      • engineered mutation (81)
      • engineered mutation (86)
    Domains in SCOPe 2.07: d6h1td_
  • Heterogens: CL6, HEM, MPD, EDO, MPO, PGE, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6h1tA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggi
    

    Sequence, based on observed residues (ATOM records): (download)
    >6h1tA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6h1tB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggi
    

    Sequence, based on observed residues (ATOM records): (download)
    >6h1tB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6h1tC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggi
    

    Sequence, based on observed residues (ATOM records): (download)
    >6h1tC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6h1tD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggi
    

    Sequence, based on observed residues (ATOM records): (download)
    >6h1tD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdffgdglvtswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqraddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
    petgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpv
    psykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhr
    dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfd
    fedhtnyeldiketltlkpegfvvkakskkiplggi