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Structure paper

TitleContributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
Journal, issue, pagesJ. Biol. Chem., Vol. 290, Page 5092-5104, Year 2015
Publish dateAug 5, 2011 (structure data deposition date)
AuthorsWang, A. / Stout, C.D. / Zhang, Q. / Johnson, E.F.
External linksJ. Biol. Chem. / PubMed:25555909
MethodsX-ray diffraction
Resolution2.1 - 3.299 Å
Structure data

PDB-3tbg:
Human cytochrome P450 2D6 with two thioridazines bound in active site
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3tda:
Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

PDB-4wnt:
Human Cytochrome P450 2D6 Ajmalicine Complex
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4wnu:
Human Cytochrome P450 2D6 Quinidine Complex
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-4wnv:
Human Cytochrome P450 2D6 Quinine Complex
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4wnw:
Human Cytochrome P450 2D6 Thioridazine Complex
Method: X-RAY DIFFRACTION / Resolution: 3.299 Å

Chemicals

ChemComp-RTZ:
10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-HOH:
WATER

ChemComp-PN0:
Prinomastat / inhibitor*YM

ChemComp-AJN:
Ajmalicine

ChemComp-QDN:
Quinidine / antiarrhythmic*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-QI9:
Quinine / medication*YM

ChemComp-NA:
Unknown entry

ChemComp-NI:
NICKEL (II) ION

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / monooxygenase / thioridazine / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / heme / prinomastat / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / CYP2D6 / P450 2D6 / P450

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