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Possible molecular interactions between compound 5376 and M. tuberculosis thioredoxin reductase (2A87) and S. aureus thioredoxin reductase (4GCM). (A) Molecular model of compound 5376 docked in PDB file 4GCM; (B) molecular model of compound 5376 docked n PDB file 2A87. TrxR is depicted as ribbons, and compound 5376 is shown along the NADPH site with the co-crystallized FAD adjacent to it. The inset shows the interacting residues within 12 Å of the ligand.
