Extended Data Fig. 10
From: Mechanistic insights into G-protein coupling with an agonist-bound G-protein-coupled receptor
Time traces of the GDP-R201SwitchI and E50Ploop-R201SwitchI residue-residue distance (heavy atoms) for several setups shown for the first 2 µs of the each run. A smoothing window of 50 ns is applied (solid lines) with the raw data as gray backdrop. A, B) β2AR-GsGDP simulations, C, D) Same starting point as A, but with the ICL3 region modelled in. E, F) Same starting point as A, but with the TM6 mutants K267Q6.29/K270Q6.32/K273Q6.35. G, H) Receptor-free simulations. See Table S1 and Methods for an overview of setups and simulations.
