PDB entry 4ejh

View 4ejh on RCSB PDB site
Description: Human Cytochrome P450 2A13 in complex with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK)
Class: oxidoreductase
Keywords: CYP2A13, cytochrome P450 2A13, P450 2A13, heme protein, 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 2.07 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.23 (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 2.07: d4ejha_
  • Chain 'B':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhb_
  • Chain 'C':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhc_
  • Chain 'D':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhd_
  • Chain 'E':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhe_
  • Chain 'F':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhf_
  • Chain 'G':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhg_
  • Chain 'H':
    Compound: Cytochrome P450 2A13
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ejhh_
  • Heterogens: HEM, 0QA, GOL, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download)
    >4ejhH (H:)
    klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavkeal
    vdqaeefsgrgeqatfdwlfkgygvafsngerakqlrrfsiatlrgfggieeriqeeagf
    lidalrgthganidptfflsrtvsnvissivfgdrfdyedkeflsllrmmlgsfqftats
    tgqlyemfssvmkhlpgpqqqafkelqgledfiakkvehnqrtldpnsprdfidsflirm
    qeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheeidrvi
    gknrqpkfedrakmpyteaviheiqrfgdmlpmglahrvnkdtkfrdfflpkgtevfpml
    gsvlrdprffsnprdfnpqhfldkkgqfkksdafvpfsigkrycfgeglarmelflfftt
    imqnfrfkspqspkdidvspkhvgfatiprnytmsflpr