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

Summary for 6BTL

• Entry DOI: 10.2210/pdb6btl/pdb
• Related: 4NEV
• Descriptor: Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... (7 entities in total)
• Functional Keywords: inhibitor, complex, sleeping sickness, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Trypanosoma brucei brucei TREU927
• Total number of polymer chains: 2
• Total formula weight: 110819.70

Authors

Bryson, S.,De Gasparo, R.,Krauth-Siegel, R.L.,Diederich, F.,Pai, E.F. (deposition date: 2017-12-06, release date: 2018-06-06, Last modification date: 2023-10-04)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.797 Å)