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Structure paper

TitleDomain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Journal, issue, pagesMol. Pharmacol., Vol. 98, Page 770-780, Year 2020
Publish dateAug 7, 2019 (structure data deposition date)
AuthorsSharma, V. / Shing, B. / Hernandez-Alvarez, L. / Debnath, A. / Podust, L.M.
External linksMol. Pharmacol. / PubMed:33008918
MethodsX-ray diffraction
Resolution1.8 - 2.93 Å
Structure data

PDB-6q2c:
Domain-swapped dimer of Acanthamoeba castellanii CYP51
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6uw2:
Clotrimazole bound complex of Acanthamoeba castellanii CYP51
Method: X-RAY DIFFRACTION / Resolution: 2.92 Å

PDB-6ux0:
Isavuconazole bound complex of Acanthamoeba castellanii CYP51
Method: X-RAY DIFFRACTION / Resolution: 2.93 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-K:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-CL6:
1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE / medication, antifungal*YM

ChemComp-GAI:
GUANIDINE

ChemComp-QKM:
4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile / medication, antifungal*YM

ChemComp-FE:
Unknown entry

Source
  • acanthamoeba castellanii str. neff (eukaryote)
KeywordsOXIDOREDUCTASE / cyp51 / ergosterol biosynthesis / Acanthamoeba / 14-alpha-demethylase / 14- alpha-demethylase / Clotrimazole / Isavuconazole

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