3KKU

Cruzain in complex with a non-covalent ligand

Summary for 3KKU

Entry DOI	10.2210/pdb3kku/pdb
Descriptor	Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	autocatalytic cleavage, glycoprotein, protease, thiol protease, zymogen, hydrolase
Biological source	Trypanosoma cruzi
Total number of polymer chains	1
Total formula weight	23836.24
Authors	Ferreira, R.S.,Eidam, O.,Shoichet, B.K. (deposition date: 2009-11-06, release date: 2010-07-07, Last modification date: 2023-09-06)
Primary citation	Ferreira, R.S.,Simeonov, A.,Jadhav, A.,Eidam, O.,Mott, B.T.,Keiser, M.J.,McKerrow, J.H.,Maloney, D.J.,Irwin, J.J.,Shoichet, B.K. Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53:4891-4905, 2010 Cited by PubMed: 20540517 DOI: 10.1021/jm100488w PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.28 Å)

Structure validation