8P41

Crystal structure of glucocerebrosidase in complex with allosteric activator

8P41 の概要

• エントリーDOI: 10.2210/pdb8p41/pdb
• 分子名称: Glucosylceramidase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
• 機能のキーワード: activator, lysosome, glycolipid metabolism, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114406.55

構造登録者

Schulze, M.-S. (登録日: 2023-05-18, 公開日: 2024-03-06, 最終更新日: 2024-11-06)

主引用文献

Schulze, M.E.D.,Scholz, D.,Jnoff, E.,Hall, A.,Melin, J.,Sands, Z.A.,Rodriguez, E.,Andre, V.M.
Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 19:e202300548-e202300548, 2024

PubMed Abstract: Several novel chemical series were identified that modulate glucocerebrosidase (GCase). Compounds from these series are active on glucosylceramide, unlike other known GCase modulators. We obtained GCase crystal structures with two compounds that have distinct chemotypes. Positive allosteric modulators bind to a site on GCase and induce conformational changes, but also induce an equilibrium state between monomer and dimer.

PubMed: 38381042
DOI: 10.1002/cmdc.202300548

実験手法

X-RAY DIFFRACTION (1.83 Å)