Figure 2
From: KRAS K104 modification affects the KRASG12D-GEF interaction and mediates cell growth and motility
Analysis of the structural change of the WT and mutant KRAS/GEF complex in conventional MD simulations. (A) RMSD plot of the WT and mutant KRAS/GEF complex. (B) Schematic illustrating calculation of the dihedral angle. The conformational change of the α2- and α3-helices was detected by measuring the dihedral angle of Cα in Met67, Thr74, Lys104 and Thr87. (C) The dihedral angle of the α2- and α3-helices as a function of time. (D) The dihedral angle distributions in the last 30 ns of the simulation for the α2- and α3-helices are colored blue, red, green and purple for the WT, G12D, G12D + K104A and G12D + K104Q KRAS/GEF complexes, respectively. Dashed lines are mean values. The figures were generated by MATLAB R2015b and PyMOL20.
