Reversing allosteric communication: From detecting allosteric sites to inducing and tuning targeted allosteric response
Fig 6
The operational definition of allosteric sites.
The homologous FBPase1 from (A) E. coli and (B) Sus scrofa are used for the illustration of the communication versus physical interactions between residues of functional and allosteric sites. Residues in ligand binding sites are indicated by spheres on the left. Pairs of residues in different sites, with Cα pairwise distance not greater than 11 Å are shown by black lines. On the right, ligands from the ligand-bound crystal structures are superimposed to the analysed apo structures to show the location of the binding sites. Free energy changes of every residue upon reverse perturbation are calculated and displayed on the structures (colors and tube thickness) and in the free energy profiles.