2WPC

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)

Summary for 2WPC

Entry DOI	10.2210/pdb2wpc/pdb
Related	2WOI 2WOV 2WOW 2WP5 2WP6 2WPE 2WPF
Descriptor	TRYPANOTHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, ... (6 entities in total)
Functional Keywords	oxidoreductase, trypanosomiasis, sleeping sickness, flavoprotein, redox-active center
Biological source	TRYPANOSOMA BRUCEI
Total number of polymer chains	4
Total formula weight	219559.86
Authors	Alphey, M.S.,Patterson, S.,Fairlamb, A.H. (deposition date: 2009-08-05, release date: 2010-10-13, Last modification date: 2023-12-20)
Primary citation	Patterson, S.,Alphey, M.S.,Jones, D.C.,Shanks, E.J.,Street, I.P.,Frearson, J.A.,Wyatt, P.G.,Gilbert, I.H.,Fairlamb, A.H. Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54:6514-, 2011 Cited by PubMed: 21851087 DOI: 10.1021/JM200312V PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation