Fig. 2: Comparison of iperoxo and LY2119620 binding pockets in M4R and M2R structures.
From: The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands
a Conformational changes of key residues within the orthosteric binding pocket in inactive M4R (PDB code 5DSG, blue) and active M4R (orange) structures. b Rotation changes of residues F186ECL2 and W4357.35 in the M4R–ip–LY–Gi structure to form π–π interactions with LY2119620 compared to that of in M4R–ip–Gi structure. c Comparison of LY2119620 binding pose, and d tyrosine lid between active M4R–ip–LY–Gi and M2R–ip–LY–GoA (PDB code 6oik, pink) structures. e Electrostatic and shape properties of the LY2119620 binding site in active M2R and M4R structures. Negatively charged residues are colored as red. Dotted line delineates the shape of the allosteric binding pockets.
