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. 2021 Mar 19;22(6):3158. doi: 10.3390/ijms22063158

Figure 6.

Figure 6

Analysis of GSK0660 docked into PPARβ/δ (PBD:3TKM). (A) Representation of the most stable GSK0660 docking conformation (grey) compared to the GW0742 of the crystal structure (pink). (B) 3D detail of the amino acids forming polar bindings with GSK0660 calculated by Pymol. Color coding of atoms: red O, Blue N, mustard S, white F, pink C of GW0742 from the crystal structure, grey C of GSK0660 docked into the crystal structure, cyan C from PPARβ/δ. (C) Schematic 2D representation of the interaction between PPARβ/δ LBD and GSK0660 calculated using Ligplot+. The green dashed lines indicate polar interactions and the red spoked arcs indicate hydrophobic interactions. Colour coding of atoms: red O, blue N, yellow S, green F, black C.