6AY2

Structure of CathB with covalently linked Compound 28

Summary for 6AY2

• Entry DOI: 10.2210/pdb6ay2/pdb
• Descriptor: Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide (3 entities in total)
• Functional Keywords: protease, covalent, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Lysosome : P07858
• Total number of polymer chains: 2
• Total formula weight: 56735.35

Authors

Kiefer, J.R.,Steinbacher, S. (deposition date: 2017-09-07, release date: 2017-12-27, Last modification date: 2018-02-21)

• Primary citation: Wei, B.,Gunzner-Toste, J.,Yao, H.,Wang, T.,Wang, J.,Xu, Z.,Chen, J.,Wai, J.,Nonomiya, J.,Tsai, S.P.,Chuh, J.,Kozak, K.R.,Liu, Y.,Yu, S.F.,Lau, J.,Li, G.,Phillips, G.D.,Leipold, D.,Kamath, A.,Su, D.,Xu, K.,Eigenbrot, C.,Steinbacher, S.,Ohri, R.,Raab, H.,Staben, L.R.,Zhao, G.,Flygare, J.A.,Pillow, T.H.,Verma, V.,Masterson, L.A.,Howard, P.W.,Safina, B.; Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.; J. Med. Chem., 61:989-1000, 2018; PubMed: 29227683; DOI: 10.1021/acs.jmedchem.7b01430

Experimental method

X-RAY DIFFRACTION (1.6 Å)