6FQN

Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2

6FQN の概要

• エントリーDOI: 10.2210/pdb6fqn/pdb
• 分子名称: Acetylcholinesterase, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
• 機能のキーワード: acetylcholinesterase hybrid reactivators organophosphate inhibition structure-based optimization, hydrolase
• 由来する生物種: Tetronarce californica (Pacific electric ray)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 61988.83

構造登録者

De la Mora, E.,Santoni, G.,de Souza, J.,Sussman, J.,Silman, I.,Baati, R.,Weik, M.,Nachon, F. (登録日: 2018-02-14, 公開日: 2018-08-29, 最終更新日: 2020-07-29)

• 主引用文献: Santoni, G.,de Sousa, J.,de la Mora, E.,Dias, J.,Jean, L.,Sussman, J.L.,Silman, I.,Renard, P.Y.,Brown, R.C.D.,Weik, M.,Baati, R.,Nachon, F.; Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.; J. Med. Chem., 61:7630-7639, 2018; PubMed: 30125110; DOI: 10.1021/acs.jmedchem.8b00592

実験手法

X-RAY DIFFRACTION (2.30002662121 Å)