5S9X
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917
Summary for 5S9X
Entry DOI | 10.2210/pdb5s9x/pdb |
Group deposition | PanDDA analysis group deposition (G_1002197) |
Descriptor | N(1),N(8)-bis(glutathionyl)spermidine reductase, FLAVIN-ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, ... (7 entities in total) |
Functional Keywords | diamond i04-1 fragment screening, pandda, xchemexplorer, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Trypanosoma brucei |
Total number of polymer chains | 2 |
Total formula weight | 109996.42 |
Authors | Fiorillo, A.,Ilari, A. (deposition date: 2021-05-18, release date: 2022-06-15, Last modification date: 2023-03-01) |
Primary citation | 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 Cited by PubMed: 35860359DOI: 10.3389/fmolb.2022.900882 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.84 Å) |
Structure validation
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