Long-Range Signaling in MutS and MSH Homologs via Switching of Dynamic Communication Pathways
Fig 3
Network diagrams of proposed communication pathways between the MBD and ATPase domains along paths ② (ADP-None), and ③ (ATP-ADP) (top) and between the ATPase and clamp domains along paths ⑦ (ATP-ADP) and ⑧ (ADP-None) (bottom).
Nodes correspond to residues with amino acid conservation across bacterial and eukaryotic homologs indicated as a pie chart for each residue. Edges are drawn based on optimal (black) and suboptimal (grey) allosteric paths. The thickness of lines corresponds to the pairwise direct correlations extracted from the MD simulations. Cancer-associated mutations in MSH6 (top three paths) and MSH2 (bottom path, chain B of MutS) mapped onto MutS residues and highlighted with pink stars. See also S3 Fig, S4 Fig and S5 Fig.