2HHN

Cathepsin S in complex with non covalent arylaminoethyl amide.

Summary for 2HHN

• Entry DOI: 10.2210/pdb2hhn/pdb
• Related: 2F1G 2HH5
• Descriptor: Cathepsin S, SULFATE ION, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ... (4 entities in total)
• Functional Keywords: cathepsin s, noncovalent, inhibition, arylaminoethyl amide, protease, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P25774
• Total number of polymer chains: 2
• Total formula weight: 49739.64

Authors

Spraggon, G.,Hornsby, M.,Lesley, S.A.,Tully, D.C.,Harris, J.L.,Karenewsky, D.S.,Kulathila, R.,Clark, K. (deposition date: 2006-06-28, release date: 2007-05-08, Last modification date: 2023-08-30)

• Primary citation: Tully, D.C.,Liu, H.,Chatterjee, A.K.,Alper, P.B.,Epple, R.,Williams, J.A.,Roberts, M.J.,Woodmansee, D.H.,Masick, B.T.,Tumanut, C.,Li, J.,Spraggon, G.,Hornsby, M.,Chang, J.,Tuntland, T.,Hollenbeck, T.,Gordon, P.,Harris, J.L.,Karanewsky, D.S.; Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers; Bioorg.Med.Chem.Lett., 16:5112-5117, 2006; PubMed: 16876402; DOI: 10.1016/j.bmcl.2006.07.033

Experimental method

X-RAY DIFFRACTION (1.55 Å)