PDB entry 3ebs

View 3ebs on RCSB PDB site
Description: Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Phenacetin
Class: oxidoreductase
Keywords: CYP2A6, P450 2A6, CYP2A13, P450 2A13, monooxygenase, oxidoreducatase, heme, endoplasmic reticulum, iron, membrane, metal-binding, microsome, phenacetin, Oxidoreductase, Polymorphism
Deposited on 2008-08-28, released 2008-09-23
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-06-09, with a file datestamp of 2009-06-05.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: 0.214
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A6, CYP2A3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered (185)
      • engineered (277-278)
      • engineered (346)
    Domains in SCOPe 2.07: d3ebsa_
  • Chain 'B':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A6, CYP2A3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered (185)
      • engineered (277-278)
      • engineered (346)
      • expression tag (472-473)
    Domains in SCOPe 2.07: d3ebsb1, d3ebsb2
  • Chain 'C':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A6, CYP2A3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered (185)
      • engineered (277-278)
      • engineered (346)
    Domains in SCOPe 2.07: d3ebsc_
  • Chain 'D':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A6, CYP2A3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered (185)
      • engineered (277-278)
      • engineered (346)
    Domains in SCOPe 2.07: d3ebsd_
  • Heterogens: HEM, N4E, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ebsA (A:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ebsA (A:)
    kgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavre
    alvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeri
    qeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsf
    qftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfid
    sflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhe
    eidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgt
    evypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmel
    flffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ebsB (B:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ebsB (B:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhh
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ebsC (C:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ebsC (C:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ebsD (D:)
    makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
    ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
    rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
    rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
    sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
    veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
    fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
    glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ebsD (D:)
    gklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavrea
    lvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriq
    eeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfq
    ftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfids
    flirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvhee
    idrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgte
    vypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelf
    lffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr