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TitleStructures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Journal, issue, pagesMol. Pharmacol., Vol. 80, Page 1047-1055, Year 2011
Publish dateFeb 9, 2011 (structure data deposition date)
AuthorsShah, M.B. / Pascual, J. / Zhang, Q. / Stout, C.D. / Halpert, J.R.
External linksMol. Pharmacol. / PubMed:21875942
MethodsX-ray diffraction
Resolution2.1 - 2.8 Å
Structure data

PDB-3qoa:
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine.
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3qu8:
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine.
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-CM5:
5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE / detergent*YM

ChemComp-3QO:
4-benzylpyridine

ChemComp-HOH:
WATER

ChemComp-3QU:
4-(4-nitrobenzyl)pyridine

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / P450 / CYTOCHROME P450 2B6 / MONOOXYGENASE / MEMBRANE PROTEIN / CYP2B6 / ENDOPLASMIC RETICULUM / HEME / IRON / MEMBRANE / METAL BINDING / MIRCOSOME / PHOSPHOPROTEIN / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / MICROSOME

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