5R22

PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free

5R22 の概要

• エントリーDOI: 10.2210/pdb5r22/pdb
• Group deposition: PanDDA analysis of F2X-Entry Screen vs. Endothiapepsin, DMSO-free soaking (G_1002120)
• 分子名称: Endothiapepsin, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol (3 entities in total)
• 機能のキーワード: hydrolase
• 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: 43478.92

構造登録者

Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. (登録日: 2020-02-13, 公開日: 2020-06-03, 最終更新日: 2020-07-08)

• 主引用文献: Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S.; F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.; Structure, 28:694-706.e5, 2020; PubMed: 32413289; DOI: 10.1016/j.str.2020.04.019

実験手法

X-RAY DIFFRACTION (1.098 Å)