2H4W

Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)

Summary for 2H4W

• Entry DOI: 10.2210/pdb2h4w/pdb
• Related: 1SC3 2FQQ 2FQR 2FQS 2FQU 2FQV 2H44 2H48 2H51 2H54
• Related PRD ID: PRD_000338
• Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide, ... (4 entities in total)
• Functional Keywords: allosteric site, dimer interface, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm: P29466 P29466
• Total number of polymer chains: 3
• Total formula weight: 30586.47

Authors

Scheer, J.M.,Wells, J.A.,Romanowski, M.J. (deposition date: 2006-05-25, release date: 2008-03-11, Last modification date: 2023-08-30)

• Primary citation: Datta, D.,Scheer, J.M.,Romanowski, M.J.,Wells, J.A.; An allosteric circuit in caspase-1.; J.Mol.Biol., 381:1157-1167, 2008; PubMed: 18590738; DOI: 10.1016/j.jmb.2008.06.040

Experimental method

X-RAY DIFFRACTION (2 Å)