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Overlay of the most populated ligand cluster structures and the reference binding mode. The ligands are shown as sticks with the carbon atoms of the reference ligand colored in black and those of the cluster structure in light blue. Interacting residues of the respective GPCR are labeled and shown as yellow sticks. (a) Histamine in complex with the H1 receptor, (b) adrenaline, and (c) alprenolol both in complex with the adrenoceptor.
