Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions
Fig 6
Membrane thickness and allosteric protein-lipid interactions during MD simulations of A2aR.
Average membrane thickness measurements across 2 μs MD simulations of A2aR in A) DOPC with bound adenosine (replica #1), B) DOPG in apo (replica #2), and C) DOPG with bound adenosine (replica #1). D-G) Specific intracellular protein-lipid interactions of adenosine-bound A2aR in a DOPG membrane during 2.0 μs MD simulation (replica #1). D) Allosteric interaction between polar residues on TM1 (W291.55 and W321.58) in A2aR (green) with a DOPG lipid (gold). Electrostatic and H-bond interactions between charged/polar residues on: E) TM4 and ICL2 (R11134.52, R1204.41), F) TM6 (Q2266.28, H2306.32, K2336.35) and G) TM5 (R1995.60, R2065.67) with DOPG lipids (gold).