3LGP

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

3LGP の概要

• エントリーDOI: 10.2210/pdb3lgp/pdb
• 関連するPDBエントリー: 1bkc 3KMC 3KME
• 分子名称: 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)
• 機能のキーワード: glycoprotein, membrane, metal-binding, metalloprotease, notch signaling pathway, phosphoprotein, protease, transmembrane, zymogen, cleavage on pair of basic residues, disulfide bond, hydrolase, sh3-binding
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P78536
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62483.18

構造登録者

Orth, P. (登録日: 2010-01-21, 公開日: 2010-07-28, 最終更新日: 2021-10-13)

• 主引用文献: 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; PubMed: 20638281; DOI: 10.1016/j.bmcl.2010.06.104

実験手法

X-RAY DIFFRACTION (1.9 Å)