PDB entry 4ejj

View 4ejj on RCSB PDB site
Description: Human Cytochrome P450 2A6 in complex with nicotine
Class: Oxidoreductase
Keywords: cytochrome P450 2A6, P450 2A6, heme protein, monoxygenase, drug metabolism, xenobiotic metabolism, endoplasmic reticulum, membrane, Oxidoreductase
Deposited on 2012-04-06, released 2012-06-06
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-01-02, with a file datestamp of 2012-12-28.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.206
AEROSPACI score: 0.35 (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)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d4ejja_
  • 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)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d4ejjb_
  • 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)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d4ejjc_
  • 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)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d4ejjd_
  • Heterogens: HEM, NCT, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4ejjA (A:)
    kgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavre
    alvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeri
    qeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgif
    qftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfid
    sflirmqeeeknpntefylknlvmttlnlfiggtetvsttlrygflllmkhpeveakvhe
    eidrvigknrqpkfedrakmpymeaviheiqrfgdvipmslarrvkkdtkfrdfflpkgt
    evypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmel
    flffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr
    

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

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

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

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

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

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