Fig. 5
From: Free fatty acid receptors: structural models and elucidation of ligand binding interactions
Two proposed binding modes for the GW9508 agonist in FFA1. a: mode 1, similar to the binding of TAK-875 in the FFA1 crystal structure. b: mode 2, the alternative pose derived from flexible docking. Hydrogen bonds, π- π and π-cation interactions are in black and blue, respectively. The binding site residues, E145 and E172 of the second extracellular loop predicted to form salt bridges in the earlier models and K622.60 predicted here to form the allosteric binding site are shown