7RTQ

Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

Summary for 7RTQ

• Entry DOI: 10.2210/pdb7rtq/pdb
• Descriptor: Protein CYP51, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, ... (4 entities in total)
• Functional Keywords: cytochrome p450, cyp51, sterol 14 alpha- demethylase, oxidoreductase
• Biological source: Naegleria fowleri (Brain eating amoeba)
• Total number of polymer chains: 4
• Total formula weight: 218968.10

Authors

Lepesheva, G.I.,Hargrove, T.Y.,Wawrzak, Z. (deposition date: 2021-08-13, release date: 2021-11-24, Last modification date: 2023-10-18)

• Primary citation: Hargrove, T.Y.,Wawrzak, Z.,Rachakonda, G.,Nes, W.D.,Villalta, F.,Guengerich, F.P.,Lepesheva, G.I.; Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition.; J.Med.Chem., 64:17511-17522, 2021; PubMed: 34842434; DOI: 10.1021/acs.jmedchem.1c01710

Experimental method