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TitleNicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
Journal, issue, pagesJ. Biol. Chem., Vol. 287, Page 26576-26585, Year 2012
Publish dateApr 6, 2012 (structure data deposition date)
AuthorsDeVore, N.M. / Scott, E.E.
External linksJ. Biol. Chem. / PubMed:22700965
MethodsX-ray diffraction
Resolution2.1 - 2.5 Å
Structure data

PDB-4ejg:
Human Cytochrome P450 2A13 in complex with Nicotine
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4ejh:
Human Cytochrome P450 2A13 in complex with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK)
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4eji:
Human Cytochrome P450 2A13 in complex with two molecules of 4-(methylnitrosamino)-1-(3-puridyl)-1-butanone
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4ejj:
Human Cytochrome P450 2A6 in complex with nicotine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-NCT:
(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE / alkaloid*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-0QA:
4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP2A13 / cytochrome P450 2A13 / heme protein / P450 2A13 / monooxygenase / drug metabolism / xenobiotic metabolism / endoplasmic reticulum / membrane / cytochrome P450 2A6 / P450 2A6 / monoxygenase

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