PDB entry 4rui

View 4rui on RCSB PDB site
Description: Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
Class: oxidoreductase
Keywords: p450, cytochrome p450 2a6, monooxygenase, oxidoreductase, membrane protein, cyp2a6, endoplasmic reticulum, heme, iron, membrane, metal binding, microsome
Deposited on 2014-11-19, released 2015-01-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-03-11, with a file datestamp of 2015-03-06.
Experiment type: XRAY
Resolution: 2.61 Å
R-factor: N/A
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • natural variant (369)
    Domains in SCOPe 2.07: d4ruia_
  • Chain 'B':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • natural variant (369)
      • expression tag (472)
    Domains in SCOPe 2.07: d4ruib1, d4ruib2
  • Chain 'C':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • natural variant (369)
    Domains in SCOPe 2.07: d4ruic_
  • Chain 'D':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • natural variant (369)
      • expression tag (472)
    Domains in SCOPe 2.07: d4ruid1, d4ruid2
  • Chain 'E':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • natural variant (369)
      • expression tag (472)
    Domains in SCOPe 2.07: d4ruie1, d4ruie2
  • Chain 'F':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • natural variant (369)
      • expression tag (472)
    Domains in SCOPe 2.07: d4ruif1, d4ruif2
  • Heterogens: HEM, SNE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ruiA (A:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgifqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ruiA (A:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgifq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ruiB (B:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgifqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ruiB (B:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgifq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprh
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4ruiC (C:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgifqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ruiC (C:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgifq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4ruiD (D:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgifqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ruiD (D:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgifq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprh
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4ruiE (E:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgifqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ruiE (E:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgifq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprh
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4ruiF (F:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgifqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ruiF (F:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgifq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprh