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; PubMed: 35860359; DOI: 10.3389/fmolb.2022.900882

Experimental method

X-RAY DIFFRACTION (1.84 Å)