4CK8

STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD)

Summary for 4CK8

• Entry DOI: 10.2210/pdb4ck8/pdb
• Related: 4CK9 4CKA
• Descriptor: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, ... (4 entities in total)
• Functional Keywords: cytochrome p450, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane
• Biological source: TRYPANOSOMA CRUZI
• Cellular location: Membrane; Single-pass membrane protein (Potential): Q7Z1V1
• Total number of polymer chains: 2
• Total formula weight: 107549.45

Authors

Friggeri, L.,Wawrzak, Z.,Tortorella, S.,Lepesheva, G.I. (deposition date: 2013-12-30, release date: 2014-07-30, Last modification date: 2023-12-20)

• Primary citation: Friggeri, L.,Hargrove, T.Y.,Rachakonda, G.,Williams, A.D.,Wawrzak, Z.,Di Santo, R.,De Vita, D.,Waterman, M.R.,Tortorella, S.,Villalta, F.,Lepesheva, G.I.; Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.; J.Med.Chem., 57:6704-, 2014; PubMed: 25033013; DOI: 10.1021/JM500739F

Experimental method

X-RAY DIFFRACTION (2.62 Å)