3I06
Crystal structure of cruzain covalently bound to a purine nitrile
Summary for 3I06
Entry DOI | 10.2210/pdb3i06/pdb |
Descriptor | Cruzipain, 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile (3 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 | 23015.40 |
Authors | Ferreira, R.S.,Shoichet, B.K.,McKerrow, J.H. (deposition date: 2009-06-24, release date: 2009-12-15, Last modification date: 2023-09-06) |
Primary citation | Mott, B.T.,Ferreira, R.S.,Simeonov, A.,Jadhav, A.,Ang, K.K.,Leister, W.,Shen, M.,Silveira, J.T.,Doyle, P.S.,Arkin, M.R.,McKerrow, J.H.,Inglese, J.,Austin, C.P.,Thomas, C.J.,Shoichet, B.K.,Maloney, D.J. Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J.Med.Chem., 53:52-60, 2010 Cited by PubMed: 19908842DOI: 10.1021/jm901069a PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.1 Å) |
Structure validation
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