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

Figure 4.

Figure 4

(A) Structure overlay of compound 3 (cyan), 21j (yellow) and 21h (purple) in the MtbTMPK (PDB 5NR7) [14] active site. (B) Detailed representation of the interactions of the D rings of 3, 21h and 21j, with the side chain of Tyr39. 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].