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

Figure 3.

Figure 3

Analysis of GW0742 docked into PPARβ/δ (PBD:3TKM). (A) Representation of the most stable GW0742 docking conformation (green) compared to the GW0742 of the crystal structure (pink). (B) 3D detail of the amino acids forming polar bindings with GW0742 calculated by Pymol. Colour coding of atoms: red O, blue N, mustard S, white F, pink C of GW0742 from the crystal structure, green C of GW0742 docked into the crystal structure, cyan C from PPARβ/δ. (C) Schematic 2D representation of the interaction between PPARβ/δ LBD and GW0742 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.