3ZG3

STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD)

Summary for 3ZG3

• Entry DOI: 10.2210/pdb3zg3/pdb
• Related: 3ZG2
• Descriptor: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, ... (4 entities in total)
• Functional Keywords: oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane, inhibitor
• Biological source: TRYPANOSOMA CRUZI
• Total number of polymer chains: 1
• Total formula weight: 53635.81

Authors

Hargrove, T.Y.,Wawrzak, Z.,Keenan, M.,Chatelain, E.,Lepesheva, G.I. (deposition date: 2012-12-14, release date: 2013-09-25, Last modification date: 2023-12-20)

• Primary citation: Hargrove, T.Y.,Wawrzak, Z.,Alexander, P.W.,Chaplin, J.H.,Keenan, M.,Charman, S.A.,Perez, C.J.,Waterman, M.R.,Chatelain, E.,Lepesheva, G.I.; Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity; J.Biol.Chem., 288:31602-, 2013; PubMed: 24047900; DOI: 10.1074/JBC.M113.497990

Experimental method

X-RAY DIFFRACTION (2.9 Å)