FIG 1.

Structural comparison between the crystal structure of DprE1 in complex with sulfonyl derivative sPBTZ169 (11326127) and the structure in complex with MCZ (PDB code 4NCR) (5). DprE1 is represented in green in the illustration. sPBTZ169 (in red) sits in the trifluoromethyl hydrophobic pocket (in yellow) and binds covalently to C387. It is maintained by FAD (orange) and some lateral chains represented in sticks. Y60, a key residue in the binding of 2-carboxyquinoxalines, is represented in pink.