2HBQ

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

Replaces:  2FQR

Summary for 2HBQ

• Entry DOI: 10.2210/pdb2hbq/pdb
• Related: 1SC1 1SC3 1SC4 2FQQ 2HBR 2HBY 2HBZ
• 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: active-site inhibitor, allosteric circuit, 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: 30600.50

Authors

Scheer, J.M.,Wells, J.A.,Romanowski, M.J. (deposition date: 2006-06-14, release date: 2006-06-27, Last modification date: 2023-08-30)

• Primary citation: Scheer, J.M.,Romanowski, M.J.,Wells, J.A.; A Common Allosteric Site and Mechanism in Caspases; Proc.Natl.Acad.Sci.USA, 103:7595-7600, 2006; PubMed: 16682620; DOI: 10.1073/pnas.0602571103

Experimental method

X-RAY DIFFRACTION (1.8 Å)