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: 33008918DOI: 10.1124/molpharm.120.000092 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.93 Å) |
Structure validation
Download full validation report