6BTL

Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole

6BTL の概要

• エントリーDOI: 10.2210/pdb6btl/pdb
• 関連するPDBエントリー: 4NEV
• 分子名称: Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... (7 entities in total)
• 機能のキーワード: inhibitor, complex, sleeping sickness, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Trypanosoma brucei brucei TREU927
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 110819.70

構造登録者

Bryson, S.,De Gasparo, R.,Krauth-Siegel, R.L.,Diederich, F.,Pai, E.F. (登録日: 2017-12-06, 公開日: 2018-06-06, 最終更新日: 2023-10-04)

• 主引用文献: De Gasparo, R.,Brodbeck-Persch, E.,Bryson, S.,Hentzen, N.B.,Kaiser, M.,Pai, E.F.,Krauth-Siegel, R.L.,Diederich, F.; Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.; ChemMedChem, 13:957-967, 2018; PubMed: 29624890; DOI: 10.1002/cmdc.201800067

実験手法

X-RAY DIFFRACTION (2.797 Å)