7NVP

Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide

This is a non-PDB format compatible entry.

Summary for 7NVP

• Entry DOI: 10.2210/pdb7nvp/pdb
• Descriptor: N(1),N(8)-bis(glutathionyl)spermidine reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide, ... (6 entities in total)
• Functional Keywords: trypanothione, neglected tropical diseases, inhibition, redox equilibrium, oxidoreductase
• Biological source: Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
• Total number of polymer chains: 2
• Total formula weight: 109970.28

Authors

Battista, T.,Fiorillo, A.,Colotti, G.,Ilari, A. (deposition date: 2021-03-15, release date: 2022-03-30, Last modification date: 2024-01-31)

• Primary citation: Battista, T.,Federico, S.,Brogi, S.,Pozzetti, L.,Khan, T.,Butini, S.,Ramunno, A.,Fiorentino, E.,Orsini, S.,Di Muccio, T.,Fiorillo, A.,Exertier, C.,Di Risola, D.,Colotti, G.,Gemma, S.,Ilari, A.,Campiani, G.; Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.; Acs Infect Dis., 8:1687-1699, 2022; PubMed: 35880849; DOI: 10.1021/acsinfecdis.2c00325

Experimental method

X-RAY DIFFRACTION (2.153 Å)