5TZ1

Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1)

Summary for 5TZ1

• Entry DOI: 10.2210/pdb5tz1/pdb
• Related: 5FSA
• Descriptor: Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, ... (4 entities in total)
• Functional Keywords: cyp51, cytochrome p450, heme, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Candida albicans (Yeast)
• Total number of polymer chains: 2
• Total formula weight: 115158.14

Authors

Hargrove, T.,Wawrzak, Z.,Lepesheva, G. (deposition date: 2016-11-21, release date: 2017-03-15, Last modification date: 2023-10-04)

• Primary citation: Hargrove, T.Y.,Friggeri, L.,Wawrzak, Z.,Qi, A.,Hoekstra, W.J.,Schotzinger, R.J.,York, J.D.,Guengerich, F.P.,Lepesheva, G.I.; Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.; J. Biol. Chem., 292:6728-6743, 2017; PubMed: 28258218; DOI: 10.1074/jbc.M117.778308

Experimental method

X-RAY DIFFRACTION (2 Å)