Figure 4:

A) Overlay of 10-PAP and dihydrofolate ligands in the active sites of both Mtb and human DHFR. B) Key interactions are illustrated between the diaminopyrimidine pharmacophore and conserved active site residues. Hydrogen bonds between Mtb DHFR Arg60 and the 10-PAP glutamate moiety were omitted for clarity. Other classes can be found in Supplementary Figure 2. Figure prepared using Maestro (Schrodinger version 2017–1).