Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT2A Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties
Figure 8
Hydrophobic thickness profiles of simulated membranes around 5-HT2AR in complex with 5-HT, LSD, or KET.
The structures of the various ligand-bound receptor structures averaged over the last 100 ns of the simulations are shown in cartoon, with only the helices depicted (in different colors) with corresponding TM numbers. The colored fields represent distances (in Å) between lipid backbone C2 atoms from the opposing leaflets. For this analysis, for each simulated system the membrane plane was divided into square 2 Å×2 Å bins, and the average C2-C2 distances in each bin were collected by scanning the last 100 ns of trajectory.