PDB entry 6iao

View 6iao on RCSB PDB site
Description: Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A
Class: oxidoreductase
Keywords: Cytochrome P450 BM3, mutant M11, DTT, OXIDOREDUCTASE
Deposited on 2018-11-27, released 2019-06-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-06-05, with a file datestamp of 2019-05-30.
Experiment type: XRAY
Resolution: 2.16 Å
R-factor: N/A
AEROSPACI score: 0.28 (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
      • engineered mutation (81)
      • engineered mutation (98)
      • engineered mutation (115)
      • engineered mutation (121)
      • engineered mutation (177)
      • engineered mutation (222)
      • engineered mutation (232)
      • engineered mutation (301)
      • engineered mutation (319)
      • engineered mutation (449)
    Domains in SCOPe 2.08: d6iaoa_
  • 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 (98)
      • engineered mutation (115)
      • engineered mutation (121)
      • engineered mutation (177)
      • engineered mutation (222)
      • engineered mutation (232)
      • engineered mutation (301)
      • engineered mutation (319)
      • engineered mutation (449)
    Domains in SCOPe 2.08: d6iaob_
  • Chain 'C':
    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 (34-End)
      • expression tag (29-33)
      • engineered mutation (81)
      • engineered mutation (98)
      • engineered mutation (115)
      • engineered mutation (121)
      • engineered mutation (177)
      • engineered mutation (222)
      • engineered mutation (301)
      • engineered mutation (319)
      • engineered mutation (449)
    Domains in SCOPe 2.08: d6iaoc1, d6iaoc2
  • Chain 'D':
    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 (98)
      • engineered mutation (115)
      • engineered mutation (121)
      • engineered mutation (177)
      • engineered mutation (222)
      • engineered mutation (232)
      • engineered mutation (301)
      • engineered mutation (319)
      • engineered mutation (449)
    Domains in SCOPe 2.08: d6iaod_
  • Heterogens: HEM, DTT, CL, GOL, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6iaoA (A:)
    mgsshhhhhhssglvprgshmasmtggqqmgrgsmtikempqpktfgelknlpllntdkp
    vqalmkiadelgeifkfeapglvtrylssqrlikeacdgsrfdknlsqalkfvrdiagdg
    lvtswtheknwkkahnillpsfsqqamkgyhammvdiavqlvqkwerlnadehievpgdm
    trltldtiglcgfnyrfnsfyrdqphpfitsmvraldeamnkqqranpddpacdenkrqf
    qedikvmndlvdkiiadrkasgeqsddllthmlngkdpetgeplddeniryqiitfliag
    hvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvpsykqvkqlkyvgmvlnealrlw
    ptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrperfenpsai
    pqhafkpfgngqracigqqfalheatlvlsmmlkhfdfedhtnyeldiketltlkpegfv
    vkakskkiplggipspsteqsakkvrk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6iaoA (A:)
    kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapglvtrylssqrlikeac
    dgsrfdknlsqalkfvrdiagdglvtswtheknwkkahnillpsfsqqamkgyhammvdi
    avqlvqkwerlnadehievpgdmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
    eamnkqqranpddpacdenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkd
    petgeplddeniryqiitfliaghvttsgllsfalyflvknpyvlqkaaeeaarvlvdpv
    psykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhr
    dktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlsmmlkhfd
    fedhtnyeldiketltlkpegfvvkakskkiplgg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6iaoB (B:)
    mgsshhhhhhssglvprgshmasmtggqqmgrgsmtikempqpktfgelknlpllntdkp
    vqalmkiadelgeifkfeapglvtrylssqrlikeacdgsrfdknlsqalkfvrdiagdg
    lvtswtheknwkkahnillpsfsqqamkgyhammvdiavqlvqkwerlnadehievpgdm
    trltldtiglcgfnyrfnsfyrdqphpfitsmvraldeamnkqqranpddpacdenkrqf
    qedikvmndlvdkiiadrkasgeqsddllthmlngkdpetgeplddeniryqiitfliag
    hvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvpsykqvkqlkyvgmvlnealrlw
    ptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrperfenpsai
    pqhafkpfgngqracigqqfalheatlvlsmmlkhfdfedhtnyeldiketltlkpegfv
    vkakskkiplggipspsteqsakkvrk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6iaoB (B:)
    mpqpktfgelknlpllntdkpvqalmkiadelgeifkfeapglvtrylssqrlikeacdg
    srfdknlsqalkfvrdiagdglvtswtheknwkkahnillpsfsqqamkgyhammvdiav
    qlvqkwerlnadehievpgdmtrltldtiglcgfnyrfnsfyrdqphpfitsmvraldea
    mnkqqranpddpacdenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdpe
    tgeplddeniryqiitfliaghvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvps
    ykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
    tiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlsmmlkhfdfe
    dhtnyeldiketltlkpegfvvkakskkiplg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6iaoC (C:)
    mgsshhhhhhssglvprgshmasmtggqqmgrgsmtikempqpktfgelknlpllntdkp
    vqalmkiadelgeifkfeapglvtrylssqrlikeacdgsrfdknlsqalkfvrdiagdg
    lvtswtheknwkkahnillpsfsqqamkgyhammvdiavqlvqkwerlnadehievpgdm
    trltldtiglcgfnyrfnsfyrdqphpfitsmvraldeamnkqqranpddpacdenkrqf
    qedikvmndlvdkiiadrkasgeqsddllthmlngkdpetgeplddeniryqiitfliag
    hvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvpsykqvkqlkyvgmvlnealrlw
    ptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrperfenpsai
    pqhafkpfgngqracigqqfalheatlvlsmmlkhfdfedhtnyeldiketltlkpegfv
    vkakskkiplggipspsteqsakkvrk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6iaoC (C:)
    mgrgsmtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapglvtrylss
    qrlikeacdgsrfdknlsqalkfvrdiagdglvtswtheknwkkahnillpsfsqqamkg
    yhammvdiavqlvqkwerlnadehievpgdmtrltldtiglcgfnyrfnsfyrdqphpfi
    tsmvraldeamnkqqrafqedikvmndlvdkiiadrkasgeqsddllthmlngkdpetge
    plddeniryqiitfliaghvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvpsykq
    vkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiw
    gddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlsmmlkhfdfedht
    nyeldiketltlkpegfvvkakskkiplgg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6iaoD (D:)
    mgsshhhhhhssglvprgshmasmtggqqmgrgsmtikempqpktfgelknlpllntdkp
    vqalmkiadelgeifkfeapglvtrylssqrlikeacdgsrfdknlsqalkfvrdiagdg
    lvtswtheknwkkahnillpsfsqqamkgyhammvdiavqlvqkwerlnadehievpgdm
    trltldtiglcgfnyrfnsfyrdqphpfitsmvraldeamnkqqranpddpacdenkrqf
    qedikvmndlvdkiiadrkasgeqsddllthmlngkdpetgeplddeniryqiitfliag
    hvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvpsykqvkqlkyvgmvlnealrlw
    ptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwgddveefrperfenpsai
    pqhafkpfgngqracigqqfalheatlvlsmmlkhfdfedhtnyeldiketltlkpegfv
    vkakskkiplggipspsteqsakkvrk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6iaoD (D:)
    empqpktfgelknlpllntdkpvqalmkiadelgeifkfeapglvtrylssqrlikeacd
    gsrfdknlsqalkfvrdiagdglvtswtheknwkkahnillpsfsqqamkgyhammvdia
    vqlvqkwerlnadehievpgdmtrltldtiglcgfnyrfnsfyrdqphpfitsmvralde
    amnkqddpacdenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdpetgep
    lddeniryqiitfliaghvttsgllsfalyflvknpyvlqkaaeeaarvlvdpvpsykqv
    kqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdktiwg
    ddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlsmmlkhfdfedhtn
    yeldiketltlkpegfvvkakskkiplggi