5SAO

Endothiapepsin in complex with compound FU58-1

5SAO の概要

• エントリーDOI: 10.2210/pdb5sao/pdb
• Group deposition: Endothiapepsin with Frag4Lead follow-up compounds (G_1002201)
• 分子名称: Endothiapepsin, GLYCEROL, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: frag4lead, fragment screening, hydrolase, inhibition, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Cryphonectria parasitica (Chestnut blight fungus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43863.33

構造登録者

Wollenhaupt, J.,Metz, A.,Messini, N.,Barthel, T.,Klebe, G.,Weiss, M.S. (登録日: 2021-05-28, 公開日: 2021-09-01, 最終更新日: 2021-09-29)

• 主引用文献: Metz, A.,Wollenhaupt, J.,Glockner, S.,Messini, N.,Huber, S.,Barthel, T.,Merabet, A.,Gerber, H.D.,Heine, A.,Klebe, G.,Weiss, M.S.; Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.; Acta Crystallogr D Struct Biol, 77:1168-1182, 2021; PubMed: 34473087; DOI: 10.1107/S2059798321008196

実験手法

X-RAY DIFFRACTION (1 Å)