5QC2

Crystal structure of human Cathepsin-S with bound ligand

Summary for 5QC2

• Entry DOI: 10.2210/pdb5qc2/pdb
• Group deposition: Ligand binding to Cathepsin S (G_1002040)
• Descriptor: Cathepsin S, 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one (3 entities in total)
• Functional Keywords: d3r, cathepsin s, ligand docking, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 50448.76

Authors

Bembenek, S.D.,Ameriks, M.K.,Mirzadegan, T.,Yang, H.,Shao, C.,Burley, S.K. (deposition date: 2017-08-04, release date: 2017-12-20, Last modification date: 2021-11-17)

• Primary citation: Bembenek, S.D.,Ameriks, M.K.,Mirzadegan, T.,Yang, H.,Shao, C.,Burley, S.K.; Crystal structure of human Cathepsin-S with bound ligand; To be published,

Experimental method

X-RAY DIFFRACTION (2.26 Å)