6UX0

Isavuconazole bound complex of Acanthamoeba castellanii CYP51

Summary for 6UX0

Entry DOI	10.2210/pdb6ux0/pdb
Descriptor	Obtusifoliol 14alphademethylase, PROTOPORPHYRIN IX CONTAINING FE, 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, ... (5 entities in total)
Functional Keywords	cyp51, ergosterol biosynthesis, acanthamoeba, 14- alpha-demethylase, oxidoreductase, isavuconazole
Biological source	Acanthamoeba castellanii str. Neff
Total number of polymer chains	6
Total formula weight	321119.35
Authors	Sharma, V.,Podust, L.M. (deposition date: 2019-11-06, release date: 2020-10-21, Last modification date: 2023-10-11)
Primary citation	Sharma, V.,Shing, B.,Hernandez-Alvarez, L.,Debnath, A.,Podust, L.M. Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98:770-780, 2020 Cited by PubMed: 33008918 DOI: 10.1124/molpharm.120.000092 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.93 Å)

Structure validation