7AMD

In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design

7AMD の概要

• エントリーDOI: 10.2210/pdb7amd/pdb
• 分子名称: Choline O-acetyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate, SODIUM ION, ... (4 entities in total)
• 機能のキーワード: chat, inhibitor, avp, hydrothiolation, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 69173.19

構造登録者

Allgardsson, A.,Ekstrom, F.J.,Wiktelius, D.,Bergstrom, T.,Hoster, N.,Akfur, C.,Forsgren, N.,Lejon, C.,Hedenstrom, M.,Linusson, A. (登録日: 2020-10-08, 公開日: 2020-10-28, 最終更新日: 2024-01-31)

• 主引用文献: Wiktelius, D.,Allgardsson, A.,Bergstrom, T.,Hoster, N.,Akfur, C.,Forsgren, N.,Lejon, C.,Hedenstrom, M.,Linusson, A.,Ekstrom, F.; In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.; Angew.Chem.Int.Ed.Engl., 60:813-819, 2021; PubMed: 33079431; DOI: 10.1002/anie.202011989

実験手法

X-RAY DIFFRACTION (2.25 Å)