Figure 1.

Key new features of full agonist isoproterenol binding and conformational changes in β₂AR ligand binding pocket predicted in 2008 by conformational modeling based on crystal structure of inactive structure of the β₂AR-carazolol complex (PDB:2rh1). In this published model (see Supplementary Info in ref. [17]) ligand is shown with yellow carbons, while the contact residues of the β₂AR shown with green carbons. Shifted TM5 helix (red and green ribbon) is compared to the original backbone in the crystal structure. Predicted hydrogen bonds are shown by cyan (ligand-receptor) and green (intramolecular) spheres.