PDB entry 4ejg

View 4ejg on RCSB PDB site
Description: Human Cytochrome P450 2A13 in complex with Nicotine
Class: oxidoreductase
Keywords: CYP2A13, cytochrome P450 2A13, heme protein, P450 2A13, monooxygenase, drug metabolism, xenobiotic metabolism, endoplasmic reticulum, membrane, OXIDOREDUCTASE
Deposited on 2012-04-06, released 2012-06-06
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-01-02, with a file datestamp of 2012-12-28.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.228
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ejga_
  • Chain 'B':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ejgb_
  • Chain 'C':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ejgc_
  • Chain 'D':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q16696 (8-471)
      • expression tag (7)
    Domains in SCOPe 2.06: d4ejgd1, d4ejgd2
  • Chain 'E':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q16696 (8-471)
      • expression tag (7)
    Domains in SCOPe 2.06: d4ejge1, d4ejge2
  • Chain 'F':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q16696 (8-471)
      • expression tag (7)
    Domains in SCOPe 2.06: d4ejgf1, d4ejgf2
  • Chain 'G':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ejgg_
  • Chain 'H':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ejgh_
  • Heterogens: HEM, NCT, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ejgA (A:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgA (A:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavkea
    lvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeriq
    eeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsfq
    ftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgte
    vfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmelf
    lffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ejgB (B:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgB (B:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavkea
    lvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeriq
    eeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsfq
    ftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgte
    vfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmelf
    lffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4ejgC (C:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgC (C:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavkea
    lvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeriq
    eeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsfq
    ftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgte
    vfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmelf
    lffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4ejgD (D:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgD (D:)
    kgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavke
    alvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeri
    qeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsf
    qftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfid
    sflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhe
    eidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgt
    evfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmel
    flffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4ejgE (E:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgE (E:)
    kgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavke
    alvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeri
    qeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsf
    qftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfid
    sflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhe
    eidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgt
    evfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmel
    flffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4ejgF (F:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgF (F:)
    kgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavke
    alvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeri
    qeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsf
    qftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfid
    sflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhe
    eidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgt
    evfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmel
    flffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4ejgG (G:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgG (G:)
    klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavkeal
    vdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgkrgieeriqe
    eagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsfqf
    tatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfidsf
    lirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheei
    drvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgtev
    fpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmelfl
    ffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4ejgH (H:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavkealvdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgvgk
    rgieeriqeeagflidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsll
    rmmlgsfqftatstgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrd
    fflpkgtevfpmlgsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfge
    glarmelflffttimqnfrfkspqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ejgH (H:)
    klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavkeal
    vdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfgieeriqeeagfl
    idalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsfqftatst
    gqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfidsflirmq
    eeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheeidrvig
    knrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgtevfpmlg
    svlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmelflfftti
    mqnfrfkspqspkdidvspkhvgfatiprnytmsflpr