Fig. 5: Structural features of A2AR and G protein in GaMD simulation.
From: Structure and function of a near fully-activated intermediate GPCR-Gαβγ complex
a 2D free energy profiles of the cR291A-mini-Gαsβγ complex system. b 2D free energy profiles of the cWT*-mini-Gαsβγ complex systems. The white triangle and asterisk indicate cryo-EM structures of the S5 and S4 states, respectively. c Root-mean square deviation (RMSD) of GDP relative to the initial position in the GaMD simulation for cS5 mediated G protein. d RMSD of GDP relative to the initial position in the GaMD simulation for cS4 mediated G protein. e The positions of AHD when G protein is inactive, partial activated, and fully activated. f Superimposed positions of Cα5 and H1 helices when G protein is inactive, partial activated, and fully activated.
