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Structure paper

TitleHalogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
Journal, issue, pagesACS Chem. Biol., Vol. 12, Page 1204-1210, Year 2017
Publish dateDec 19, 2016 (structure data deposition date)
AuthorsShah, M.B. / Liu, J. / Zhang, Q. / Stout, C.D. / Halpert, J.R.
External linksACS Chem. Biol. / PubMed:28368100
MethodsX-ray diffraction
Resolution1.76 - 2.27 Å
Structure data

PDB-5uap:
Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-5uda:
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-5uec:
Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide.
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-5ufg:
Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

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

ChemComp-82S:
(1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane

ChemComp-HOH:
WATER

ChemComp-CAE:
CAMPHANE

ChemComp-85D:
(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / CYP2B6 / cytochrome P450 2B6

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