1RHR

CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR

Summary for 1RHR

Entry DOI	10.2210/pdb1rhr/pdb
Related	1PAU 1RHJ 1RHK 1RHM 1RHQ 1RHU
Descriptor	Caspase-3, (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, ... (4 entities in total)
Functional Keywords	cysteine protease, caspase-3, apopain, cpp32, yama, complex (protease-inhibitor), hydrolase
Biological source	Homo sapiens (human) More
Cellular location	Cytoplasm: P42574 P42574
Total number of polymer chains	2
Total formula weight	29201.65
Authors	Becker, J.W.,Rotonda, J.,Soisson, S.M. (deposition date: 2003-11-14, release date: 2004-05-11, Last modification date: 2023-09-20)
Primary citation	Becker, J.W.,Rotonda, J.,Soisson, S.M.,Aspiotis, R.,Bayly, C.,Francoeur, S.,Gallant, M.,Garcia-Calvo, M.,Giroux, A.,Grimm, E.,Han, Y.,McKay, D.,Nicholson, D.W.,Peterson, E.,Renaud, J.,Roy, S.,Thornberry, N.,Zamboni, R. Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis. J.Med.Chem., 47:2466-2474, 2004 Cited by PubMed: 15115390 DOI: 10.1021/jm0305523 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation