3V7T

Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold

Summary for 3V7T

• Entry DOI: 10.2210/pdb3v7t/pdb
• Descriptor: TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone, CARBONATE ION, ... (4 entities in total)
• Functional Keywords: tryptase, serine protease, tetramer, protein-ligand complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 112067.51

Authors

Zhang, Y.,Colonna, C.,Michot, N. (deposition date: 2011-12-22, release date: 2012-03-14, Last modification date: 2017-11-08)

• Primary citation: Liang, G.,Choi-Sledeski, Y.M.,Shum, P.,Chen, X.,Poli, G.B.,Kumar, V.,Minnich, A.,Wang, Q.,Tsay, J.,Sides, K.,Kang, J.,Zhang, Y.; A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity; Bioorg.Med.Chem.Lett., 22:1606-1610, 2012; PubMed: 22264487; DOI: 10.1016/j.bmcl.2011.12.127

Experimental method

X-RAY DIFFRACTION (2.09 Å)