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. 2020 Jun 17;25(12):2805. doi: 10.3390/molecules25122805

Figure 3.

Figure 3

(A) Structure overlay of compound 3 (cyan) and 21a (yellow) docked in the MtbTMPK (PDB 5NR7) [14] active site. (B) Structure overlay of compound 3 (cyan) and 21n (green) docked in the MtbTMPK (PDB 5NR7) [14] active site. All residues interacting with the inhibitors, including the hydrophobic contact (gray wire) and hydrogen-bonding interaction (residues in orange wire, hydrogen bonds indicated in magenta), were calculated using LigPlus [31]. Illustration was created using Chimera [32].