3KJQ

Caspase 8 with covalent inhibitor

Summary for 3KJQ

• Entry DOI: 10.2210/pdb3kjq/pdb
• Related: 3KJF 3KJN
• Descriptor: Caspase-8, (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, ... (4 entities in total)
• Functional Keywords: caspase 8, apoptosis, kinetics, peptidomimetic inhibitor, urazole, disease mutation, phosphoprotein, protease, thiol protease, zymogen, allosteric, hydrolase
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm: Q14790 Q14790
• Total number of polymer chains: 2
• Total formula weight: 30725.48

Authors

Kamtekar, S.,Watt, W.,Finzel, B.C.,Harris, M.S.,Blinn, J.,Wang, Z.,Tomasselli, A.G. (deposition date: 2009-11-03, release date: 2010-08-11, Last modification date: 2011-07-13)

• Primary citation: Wang, Z.,Watt, W.,Brooks, N.A.,Harris, M.S.,Urban, J.,Boatman, D.,McMillan, M.,Kahn, M.,Heinrikson, R.L.,Finzel, B.C.,Wittwer, A.J.,Blinn, J.,Kamtekar, S.,Tomasselli, A.G.; Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.; Biochim.Biophys.Acta, 1804:1817-1831, 2010; PubMed: 20580860; DOI: 10.1016/j.bbapap.2010.05.007

Experimental method

X-RAY DIFFRACTION (1.8 Å)