PDB entry 3t3q

View 3t3q on RCSB PDB site
Description: Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine
Class: oxidoreductase
Keywords: CYP2A6, cytochrome P450 2A6, heme protein, monooxygenase, drug metabolism, xenobiotic metabolism, endoplasmic reticulum, membrane, OXIDOREDUCTASE
Deposited on 2011-07-25, released 2011-12-07
The last revision prior to the SCOPe 2.03 freeze date was dated 2012-06-06, with a file datestamp of 2012-06-01.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.214
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6, CYP2A6 I208S/I300F/G301A/S369G
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered mutation (185)
      • engineered mutation (277-278)
      • engineered mutation (346)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d3t3qa_
  • Chain 'B':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6, CYP2A6 I208S/I300F/G301A/S369G
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered mutation (185)
      • engineered mutation (277-278)
      • engineered mutation (346)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d3t3qb_
  • Chain 'C':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6, CYP2A6 I208S/I300F/G301A/S369G
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered mutation (185)
      • engineered mutation (277-278)
      • engineered mutation (346)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d3t3qc_
  • Chain 'D':
    Compound: Cytochrome P450 2A6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2A3, CYP2A6, CYP2A6 I208S/I300F/G301A/S369G
    Database cross-references and differences (RAF-indexed):
    • Uniprot P11509 (Start-471)
      • engineered mutation (185)
      • engineered mutation (277-278)
      • engineered mutation (346)
      • see remark 999 (369)
    Domains in SCOPe 2.03: d3t3qd_
  • Heterogens: HEM, 9PL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3t3qA (A:)
makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3t3qA (A:)
klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavreal
vdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriqe
eagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfqf
tststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfidsf
lirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheei
drvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgtev
ypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelfl
ffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3t3qB (B:)
makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3t3qB (B:)
klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavreal
vdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriqe
eagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfqf
tststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfidsf
lirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheei
drvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgtev
ypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelfl
ffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3t3qC (C:)
makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3t3qC (C:)
klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavreal
vdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriqe
eagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfqf
tststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfidsf
lirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheei
drvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgtev
ypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelfl
ffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3t3qD (D:)
makktsskgklppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlc
ghdavrealvdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgk
rgieeriqeeagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsll
rmmlgsfqftststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpn
sprdfidsflirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpe
veakvheeidrvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrd
fflpkgtevypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfge
glarmelflffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflprhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3t3qD (D:)
klppgptplpfignylqlnteqmynslmkiserygpvftihlgprrvvvlcghdavreal
vdqaeefsgrgeqatfdwvfkgygvvfsngerakqlrrfsiatlrdfgvgkrgieeriqe
eagflidalrgtgganidptfflsrtvsnvissivfgdrfdykdkeflsllrmmlgsfqf
tststgqlyemfssvmkhlpgpqqqafqllqgledfiakkvehnqrtldpnsprdfidsf
lirmqeeeknpntefylknlvmttlnlffagtetvsttlrygflllmkhpeveakvheei
drvigknrqpkfedrakmpymeaviheiqrfgdvipmglarrvkkdtkfrdfflpkgtev
ypmlgsvlrdpsffsnpqdfnpqhflnekgqfkksdafvpfsigkrncfgeglarmelfl
ffttvmqnfrlkssqspkdidvspkhvgfatiprnytmsflpr