3v7t | pdb_00003v7t

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

spinqualitylabelsall models 3v7t, resolution 2.09Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3v7t is a 4 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 0GX, CO3 Gene: TPSB2 (HUMAN) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Tropanylamide was investigated as a possible scaffold for beta-tryptase inhibitors with a basic benzylamine P1 group and a substituted thiophene P4 group. Comparing to piperidinylamide, the tropanylamide scaffold is much more rigid, which presents less opportunity for the inhibitor to bind with off-target proteins, such as cytochrome P450, SSAO, and hERG potassium channel. The proposed binding mode was further confirmed by an in-house X-ray structure through co-crystallization. A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity.,Liang G, Choi-Sledeski YM, Shum P, Chen X, Poli GB, Kumar V, Minnich A, Wang Q, Tsay J, Sides K, Kang J, Zhang Y Bioorg Med Chem Lett. 2012 Feb 15;22(4):1606-10. Epub 2012 Jan 3. PMID:22264487 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Tryptase

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