3OVX

Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead

Summary for 3OVX

• Entry DOI: 10.2210/pdb3ovx/pdb
• Related: 3OVZ
• Descriptor: Cathepsin S, 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: cathepsin s, hydrolase, covalent inhibitor, aldehyde warhead, ligand is covalently bound to cys25, lysosomeal protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P25774
• Total number of polymer chains: 2
• Total formula weight: 48905.66

Authors

Fradera, X.,van Zeeland, M.,Uitdehaag, J.C.M. (deposition date: 2010-09-17, release date: 2010-12-22, Last modification date: 2024-04-03)

• Primary citation: Cai, J.,Robinson, J.,Belshaw, S.,Everett, K.,Fradera, X.,van Zeeland, M.,van Berkom, L.,van Rijnsbergen, P.,Popplestone, L.,Baugh, M.,Dempster, M.,Bruin, J.,Hamilton, W.,Kinghorn, E.,Westwood, P.,Kerr, J.,Rankovic, Z.,Arbuckle, W.,Bennett, D.J.,Jones, P.S.,Long, C.,Martin, I.,Uitdehaag, J.C.,Meulemans, T.; Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.; Bioorg.Med.Chem.Lett., 20:6890-6894, 2010; PubMed: 21030256; DOI: 10.1016/j.bmcl.2010.10.012

Experimental method

X-RAY DIFFRACTION (1.49 Å)