Fig. 2: The mTAAR7f orthosteric binding site and comparison to other receptors.

a Sliced surface representation of the OBS of DMCHA-bound mTAAR7f, serotonin-bound 5HT₄R, adrenaline-bound β₂AR and propionate-bound OR51E2; ligand atoms are depicted as spheres and the ligand structures are shown at the bottom of the panel. b Binding pose of DMCHA and details of ligand-receptor interactions. Amino acid residues ≤3.9 Å from the ligand are shown with polar interactions depicted as dashed lines. c Amino acid residues in the OBS within 3.9 Å of the ligand of mTAAR7f, aminergic receptors and an odorant receptor, OR51E2: (PDB IDs; h5HT₄R, 7XT8; β₁AR, 7JJO; β₂AR, 4LDO; h5HT_1DR, 7E32; OR51E2, 8F76). Superscripts refer to the Ballesteros–Weinstein naming convention²⁸. d Frequency of ligand contacts as determined during MD simulations. e The relative positions of the OBS in OR51E2 and mTAAR7f are shown after superposition of the receptors. Ligands (propionate and DMCHA) are shown as spheres.