4KLB

Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176

Summary for 4KLB

Entry DOI	10.2210/pdb4klb/pdb
Related	4KNO
Descriptor	Cruzipain, 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide (3 entities in total)
Functional Keywords	hydrolase, protease, thiol protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Trypanosoma cruzi
Total number of polymer chains	5
Total formula weight	114425.66
Authors	Fernandes, W.B.,Montanari, C.A.,Mckerrow, J.H. (deposition date: 2013-05-07, release date: 2013-09-18, Last modification date: 2023-09-20)
Primary citation	Wiggers, H.J.,Rocha, J.R.,Fernandes, W.B.,Sesti-Costa, R.,Carneiro, Z.A.,Cheleski, J.,da Silva, A.B.,Juliano, L.,Cezari, M.H.,Silva, J.S.,McKerrow, J.H.,Montanari, C.A. Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. Plos Negl Trop Dis, 7:e2370-e2370, 2013 Cited by PubMed: 23991231 DOI: 10.1371/journal.pntd.0002370 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.62 Å)

Structure validation