Figure 4
From: Exploiting protein flexibility to predict the location of allosteric sites
PDK1 kinase. Predicted pockets and ligands on PDK1 kinase ([PDB:3HRF]). Ligands (ATP, allosteric effector PS48) and the modified residue phosphoserine (SEP) are shown in ‘sticks’ representation, residues in red correspond to the CSA[21] active site annotations. Predicted pockets (geometric centers) are shown in ‘spheres’ representation, orange pockets affected protein flexibility significantly according to our simulations, but yellow did not.