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Structure paper

TitleSynthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 6987-7001, Year 2006
Publish dateDec 14, 2005 (structure data deposition date)
AuthorsYano, J.K. / Denton, T.T. / Cerny, M.A. / Zhang, X. / Johnson, E.F. / Cashman, J.R.
External linksJ. Med. Chem. / PubMed:17125252
MethodsX-ray diffraction
Resolution1.65 - 2.05 Å
Structure data

PDB-2fdu:
Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2fdv:
Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-2fdw:
Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-2fdy:
Microsomal P450 2A6 with the inhibitor Adrithiol bound
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-D1G:
N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

ChemComp-HOH:
WATER

ChemComp-D2G:
N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-D3G:
(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

ChemComp-D4G:
4,4'-DIPYRIDYL DISULFIDE

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP2A6 / P450 2A6 / P450 / MONOOXYGENASE / DRUG METABOLIZING ENZYME / COUMARIN 7-HYDROXYLASE / NICOTINE OXIDASE

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