Dynamic Fluctuations Provide the Basis of a Conformational Switch Mechanism in Apo Cyclic AMP Receptor Protein
Figure 2
Dynamic fluctuations of apo CRP monomer/dimer and holo CRP by MD simulations.
A. RMSD of the sampled conformations from the initial energy-minimized structure for apo CRP monomer/dimer and holo CRP along the 150 ns MD simulations. Comparisons between the RMSDs of different states are given in the inset figure. B. The MSF of residues for apo CRP monomer/dimer and holo CRP. The values are averaged over parallel runs for all states, and averaged over subunits for the dimers. The difference-MSF of different states is given as a sub-plot. C. The difference-MSF of apo CRP dimer (averaged over subunits) and apo CRP monomer.