3LXS

Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)

Replaces:  2EFM

Summary for 3LXS

• Entry DOI: 10.2210/pdb3lxs/pdb
• Descriptor: Cruzain, (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: cysteine protease, covalent inhibitor, vinyl sulfonamide, hydrolase
• Biological source: Trypanosoma cruzi
• Total number of polymer chains: 2
• Total formula weight: 48325.35

Authors

Kerr, I.D.,Brinen, L.S. (deposition date: 2010-02-25, release date: 2010-10-20, Last modification date: 2023-11-01)

• Primary citation: Chen, Y.T.,Brinen, L.S.,Kerr, I.D.,Hansell, E.,Doyle, P.S.,McKerrow, J.H.,Roush, W.R.; In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi.; Plos Negl Trop Dis, 4:-, 2010; PubMed: 20856868; DOI: 10.1371/journal.pntd.0000825

Experimental method

X-RAY DIFFRACTION (1.5 Å)