PDB entry 5jqv

View 5jqv on RCSB PDB site
Description: Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound
Class: oxidoreductase
Keywords: P450 BM3, iron(III) deuteroporphyrin IX, OXIDOREDUCTASE
Deposited on 2016-05-05, released 2016-09-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-20, with a file datestamp of 2017-09-15.
Experiment type: XRAY
Resolution: 2.34 Å
R-factor: N/A
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqva_
  • Chain 'B':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqvb_
  • Chain 'C':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqvc_
  • Chain 'D':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqvd_
  • Chain 'E':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqve_
  • Chain 'F':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (0-End)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqvf_
  • Chain 'G':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqvg_
  • Chain 'H':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (405)
    Domains in SCOPe 2.07: d5jqvh_
  • Heterogens: FDE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5jqvA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvA (A:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaseqsddllthmlngkd
    petgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdpv
    psykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhr
    dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhfd
    fedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5jqvB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvB (B:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgqsddllthmlngkd
    petgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdpv
    psykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhr
    dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhfd
    fedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5jqvC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkassddllthmlngkdp
    etgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvp
    sykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrd
    ktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhfdf
    edhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5jqvD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgqsddllthmlngk
    dpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhf
    dfedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5jqvE (E:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvE (E:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkassddllthmlngkdpe
    tgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvps
    ykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
    tiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhfdfe
    dhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5jqvF (F:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvF (F:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaseqsddllthmlngk
    dpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhf
    dfedhtnyeldiketltlkpegfvvkakskkiplg
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5jqvG (G:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvG (G:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaqsddllthmlngkdpe
    tgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvps
    ykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
    tiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhfdfe
    dhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5jqvH (H:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jqvH (H:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkqsddllthmlngkdpet
    geplddeniryqiitfliaghetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvpsy
    kqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkt
    iwgddveefrperfenpsaipqhafkpfgngqracigqqfslheatlvlgmmlkhfdfed
    htnyeldiketltlkpegfvvkakskkipl