4QH6

Crystal structure of cruzain with nitrile inhibitor N-(2-AMINOETHYL)-NALPHA-BENZOYL-L-PHENYLALANINAMIDE

Summary for 4QH6

Entry DOI	10.2210/pdb4qh6/pdb
Descriptor	Cruzipain, N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide (2 entities in total)
Functional Keywords	thiol protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Trypanosoma cruzi
Total number of polymer chains	5
Total formula weight	113887.04
Authors	Fernandes, W.B.,Montanari, C.A.,McKerrow, J.H. (deposition date: 2014-05-27, release date: 2015-08-05, Last modification date: 2023-09-20)
Primary citation	Avelar, L.A.,Camilo, C.D.,de Albuquerque, S.,Fernandes, W.B.,Goncalez, C.,Kenny, P.W.,Leitao, A.,McKerrow, J.H.,Montanari, C.A.,Orozco, E.V.,Ribeiro, J.F.,Rocha, J.R.,Rosini, F.,Saidel, M.E. Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors. Plos Negl Trop Dis, 9:e0003916-e0003916, 2015 Cited by PubMed: 26173110 DOI: 10.1371/journal.pntd.0003916 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.13 Å)

Structure validation