3K1O

Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole

Summary for 3K1O

Entry DOI	10.2210/pdb3k1o/pdb
Related	3g1q 3i3k
Descriptor	Sterol 14 alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, ... (4 entities in total)
Functional Keywords	sterol 14-alpha demethylase, eburicol 14a-demethylase, cyp51, cytochrome p450, heme, oxidoreductase, monooxygenase, endoplasmic reticulum, transmembrane protein, sterol biosynthesis, lipids, membrane, iron, heme-thiolate protein
Biological source	Trypanosoma cruzi
Total number of polymer chains	1
Total formula weight	53669.91
Authors	Lepesheva, G.I.,Hargrove, T.Y.,Anderson, S.,Wawrzak, Z.,Waterman, M.R. (deposition date: 2009-09-28, release date: 2009-10-27, Last modification date: 2023-09-06)
Primary citation	Lepesheva, G.I.,Hargrove, T.Y.,Anderson, S.,Kleshchenko, Y.,Furtak, V.,Wawrzak, Z.,Villalta, F.,Waterman, M.R. Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285:25582-25590, 2010 Cited by PubMed: 20530488 DOI: 10.1074/jbc.M110.133215 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.89 Å)

Structure validation