5RBP

PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B03a

5RBP の概要

• エントリーDOI: 10.2210/pdb5rbp/pdb
• Group deposition: PanDDA analysis of F2X-Entry vs. Endothiapepsin (G_1002147)
• 分子名称: Endothiapepsin, 2-[(1~{S})-1-azanylpropyl]phenol, DIMETHYL SULFOXIDE, ... (8 entities in total)
• 機能のキーワード: fragmax, fragmaxapp, fragment screening, hydrolase, inhibition, f2x-entry
• 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: 44216.81

構造登録者

Weiss, M.S.,Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G. (登録日: 2020-03-24, 公開日: 2020-06-03, 最終更新日: 2024-04-24)

• 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 (1.05 Å)