4H6O

Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole

Summary for 4H6O

Entry DOI	10.2210/pdb4h6o/pdb
Related	3k1o 3ksw
Descriptor	Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, ... (4 entities in total)
Functional Keywords	sterol 14-alpha demethylase (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	Trypanosoma cruzi
Cellular location	Membrane ; Single-pass membrane protein : Q7Z1V1
Total number of polymer chains	1
Total formula weight	53613.38
Authors	Wawrzak, Z.,Hargrove, T.Y.,Pollastri, M.P.,Lepesheva, G.I. (deposition date: 2012-09-19, release date: 2013-03-20, Last modification date: 2023-09-20)
Primary citation	Andriani, G.,Amata, E.,Beatty, J.,Clements, Z.,Coffey, B.J.,Courtemanche, G.,Devine, W.,Erath, J.,Juda, C.E.,Wawrzak, Z.,Wood, J.T.,Lepesheva, G.I.,Rodriguez, A.,Pollastri, M.P. Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth. J.Med.Chem., 56:2556-2567, 2013 Cited by PubMed: 23448316 DOI: 10.1021/jm400012e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation