3DEK

Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors

Summary for 3DEK

Entry DOI	10.2210/pdb3dek/pdb
Related	3DEH 3DEI 3DEJ
Descriptor	Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide (3 entities in total)
Functional Keywords	caspase-3, isoquinoline-1, 3, 4-trione derivatives, inactivation, protein-inhibitor complex, apoptosis, cytoplasm, hydrolase, phosphoprotein, polymorphism, protease, s-nitrosylation, thiol protease, zymogen
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: P42574
Total number of polymer chains	4
Total formula weight	114693.38
Authors	Wu, J.,Du, J.,Li, J.,Ding, J. (deposition date: 2008-06-10, release date: 2008-09-02, Last modification date: 2023-11-15)
Primary citation	Du, J.-Q.,Wu, J.,Zhang, H.-J.,Zhang, Y.-H.,Qiu, B.-Y.,Wu, F.,Chen, Y.-H.,Li, J.-Y.,Nan, F.-J.,Ding, J.-P.,Li, J. Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283:30205-30215, 2008 Cited by PubMed: 18768468 DOI: 10.1074/jbc.M803347200 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation