Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions
Fig 9
Comparison of water-mediated polar networks in the core of A2aR during MD simulations.
Average water density of A) apo A2aR in DOPC membrane, and B) A2aR bound to adenosine within a DOPG membrane (green) over respective replica #1 trajectories. Respective water molecule distribution snapshots at C) 1.5 μs and D) 1.3 μs. Water-mediated hydrogen bonds are represented as dotted lines.