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3OVZ

Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead

Summary for 3OVZ
Entry DOI10.2210/pdb3ovz/pdb
Related3OVX
DescriptorCathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION, ... (4 entities in total)
Functional Keywordscathepsin k, hydrolase, covalent inhibitor, ketoamide warhead, ligand forms covalent bond to cys25, lysosomes, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationLysosome: P43235
Total number of polymer chains1
Total formula weight23991.22
Authors
Fradera, X.,van Zeeland, M.,Uitdehaag, J.C.M. (deposition date: 2010-09-17, release date: 2010-12-22, Last modification date: 2018-01-31)
Primary citationCai, 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
Cited by
PubMed: 21030256
DOI: 10.1016/j.bmcl.2010.10.012
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.02 Å)
Structure validation

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