4ZTE

Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor

4ZTE の概要

• エントリーDOI: 10.2210/pdb4zte/pdb
• 関連するPDBエントリー: 4ZT1
• 分子名称: Cadherin-1, CALCIUM ION, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine, ... (4 entities in total)
• 機能のキーワード: adhesion, cadherin, calcium-binding protein, x-dimer, inhibitor, peptidomimetic, cell adhesion
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cell junction: P12830
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 47088.66

構造登録者

Nardone, V.,Lucarelli, A.P.,Dalle Vedove, A.,Parisini, E. (登録日: 2015-05-14, 公開日: 2016-06-01, 最終更新日: 2024-01-10)

主引用文献

Nardone, V.,Lucarelli, A.P.,Dalle Vedove, A.,Fanelli, R.,Tomassetti, A.,Belvisi, L.,Civera, M.,Parisini, E.
Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59:5089-5094, 2016

PubMed Abstract: Cadherins are transmembrane cell adhesion proteins whose aberrant expression often correlates with cancer development and proliferation. We report the crystal structure of an E-cadherin extracellular fragment in complex with a peptidomimetic compound that was previously shown to partially inhibit cadherin homophilic adhesion. The structure reveals an unexpected binding mode and allows the identification of a druggable cadherin interface, thus paving the way to a future structure-guided design of cell adhesion inhibitors against cadherin-expressing solid tumors.

PubMed: 27120112
DOI: 10.1021/acs.jmedchem.5b01487

実験手法

X-RAY DIFFRACTION (2.13 Å)