PDB entry 5jqu

View 5jqu on RCSB PDB site
Description: Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) 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: 2.16 Å
R-factor: N/A
AEROSPACI score: 0.27 (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 (0-End)
      • engineered mutation (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jqua_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jqub_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jquc_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jqud_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jque_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jquf_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jqug_
  • 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 (264)
      • engineered mutation (268)
      • engineered mutation (271)
      • engineered mutation (321)
      • engineered mutation (404-405)
    Domains in SCOPe 2.07: d5jquh_
  • Heterogens: FDE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5jquA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquA (A:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaqsddllthmlngkdp
    etgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvp
    sykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrd
    ktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhfdf
    edhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5jquB (B:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquB (B:)
    kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
    desrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvdi
    avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
    eamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
    petgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdpv
    psykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhr
    dktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhfd
    fedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5jquC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquC (C:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasqsddllthmlngkd
    petgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdpv
    psykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhr
    dktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhfd
    fedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5jquD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquD (D:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgqsddllthmlngk
    dpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhf
    dfedhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5jquE (E:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquE (E:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkassddllthmlngkdpe
    tgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvps
    ykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
    tiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhfdfe
    dhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5jquF (F:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquF (F:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaseqsddllthmlngk
    dpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdp
    vpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlh
    rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhf
    dfedhtnyeldiketltlkpegfvvkakskkiplg
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5jquG (G:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquG (G:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaqsddllthmlngkdpe
    tgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvps
    ykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
    tiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhfdfe
    dhtnyeldiketltlkpegfvvkakskkipl
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5jquH (H:)
    tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
    acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
    diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
    ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
    kdpetgeplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvd
    pvpsykqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipql
    hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkh
    fdfedhtnyeldiketltlkpegfvvkakskkiplggipspstlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jquH (H:)
    ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikea
    cdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvd
    iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
    deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkqsddllthmlngkdpet
    geplddeniryqiitfliafhetvsgwlsfalyflvknphvlqkaaeeaarvlvdpvpsy
    kqvkqlkyvgmvlneairlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkt
    iwgddveefrperfenpsaipqhafkpfgngqracigqqmslheatlvlgmmlkhfdfed
    htnyeldiketltlkpegfvvkakskkipl