The Distinct Conformational Dynamics of K-Ras and H-Ras A59G
Figure 9
Spontaneous GTP-to-GDP transition in the GDP-bound H-Ras A59G MD simulation.
(A) The projection of GDP-bound H-Ras A59G MD conformers onto the first two principal components of the crystallographic ensemble. (B) The RMSDs of H-Ras A59G MD conformers with respect to the GTP-bound H-Ras A59G crystal structure (PDB 1LF0, black) and the GDP-bound H-Ras A59G crystal structure (PDB 1LF5, gray). (C) The RMSD of switch 1 (blue) and switch 2 (red) during the MD simulation.