5SA2

PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1148747945

5SA2 の概要

• エントリーDOI: 10.2210/pdb5sa2/pdb
• Group deposition: PanDDA analysis group deposition (G_1002197)
• 分子名称: N(1),N(8)-bis(glutathionyl)spermidine reductase, FLAVIN-ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, ... (7 entities in total)
• 機能のキーワード: diamond i04-1 fragment screening, pandda, xchemexplorer, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Trypanosoma brucei
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 109705.19

構造登録者

Fiorillo, A.,Ilari, A. (登録日: 2021-05-18, 公開日: 2022-06-15, 最終更新日: 2023-03-01)

• 主引用文献: Fiorillo, A.,Colotti, G.,Exertier, C.,Liuzzi, A.,Seghetti, F.,Salerno, A.,Caciolla, J.,Ilari, A.; Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.; Front Mol Biosci, 9:900882-900882, 2022; PubMed: 35860359; DOI: 10.3389/fmolb.2022.900882

実験手法

X-RAY DIFFRACTION (1.78 Å)