3LXS
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)
Replaces: 2EFMSummary 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 Cited by PubMed: 20856868DOI: 10.1371/journal.pntd.0000825 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
Download full validation report