3LGP

Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor

Summary for 3LGP

Entry DOI	10.2210/pdb3lgp/pdb
Related	1bkc 3KMC 3KME
Descriptor	Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, ... (4 entities in total)
Functional Keywords	glycoprotein, membrane, metal-binding, metalloprotease, notch signaling pathway, phosphoprotein, protease, transmembrane, zymogen, cleavage on pair of basic residues, disulfide bond, hydrolase, sh3-binding
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P78536
Total number of polymer chains	2
Total formula weight	62483.18
Authors	Orth, P. (deposition date: 2010-01-21, release date: 2010-07-28, Last modification date: 2021-10-13)
Primary citation	Li, D.,Popovici-Muller, J.,Belanger, D.B.,Caldwell, J.,Dai, C.,David, M.,Girijavallabhan, V.M.,Lavey, B.J.,Lee, J.F.,Liu, Z.,Mazzola, R.,Rizvi, R.,Rosner, K.E.,Shankar, B.,Spitler, J.,Ting, P.C.,Vaccaro, H.,Yu, W.,Zhou, G.,Zhu, Z.,Niu, X.,Sun, J.,Guo, Z.,Orth, P.,Chen, S.,Kozlowski, J.A.,Lundell, D.J.,Madison, V.,McKittrick, B.,Piwinski, J.J.,Shih, N.Y.,Shipps, G.W.,Siddiqui, M.A.,Strickland, C.O. Structure and activity relationships of tartrate-based TACE inhibitors. Bioorg.Med.Chem.Lett., 20:4812-4815, 2010 Cited by PubMed: 20638281 DOI: 10.1016/j.bmcl.2010.06.104 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation