4FGX

Crystal structure of bace1 with novel inhibitor

4FGX の概要

• エントリーDOI: 10.2210/pdb4fgx/pdb
• 関連するPDBエントリー: 4FCO
• 分子名称: Beta-secretase 1, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P56817
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 49545.31

構造登録者

Chen, T.T.,Chen, W.Y.,Li, L.,Xu, Y.C. (登録日: 2012-06-05, 公開日: 2013-01-16, 最終更新日: 2021-09-15)

• 主引用文献: Liu, Y.,Zhang, W.,Li, L.,Salvador, L.A.,Chen, T.,Chen, W.,Felsenstein, K.M.,Ladd, T.B.,Price, A.R.,Golde, T.E.,He, J.,Xu, Y.,Li, Y.,Luesch, H.; Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases; J.Med.Chem., 55:10749-10765, 2012; PubMed: 23181502; DOI: 10.1021/jm301630s

実験手法

X-RAY DIFFRACTION (1.59 Å)