6BU7
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
Summary for 6BU7
Entry DOI | 10.2210/pdb6bu7/pdb |
Related | 4NEV 6BTL |
Descriptor | Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... (7 entities in total) |
Functional Keywords | trypanosoma, inhibitor, complex, sleeping sickness, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) |
Total number of polymer chains | 2 |
Total formula weight | 110817.73 |
Authors | Bryson, S.,De Gasparo, R.,Krauth-Siegel, R.L.,Diederich, F.,Pai, E.F. (deposition date: 2017-12-08, 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 Cited by PubMed: 29624890DOI: 10.1002/cmdc.201800067 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.73 Å) |
Structure validation
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