Figure 4.

Determinants of Specificity in the Human Kinase Domain

(A) Mesh representation of the kinase domain, including its secondary structure in cartoon representation and a bound peptide substrate colored in orange. Positions predicted as DoS by KINspect (i.e., residues with a KINspect specificity importance score higher than 0.9) are highlighted in cyan and the three “canals” formed by these determinants are outlined by red arrows.

(B–K) For a more clear representation of different parts of the structure, longitudinal (B–F) and transversal (H–K) slices were taken through the kinase domain at the planes indicated in the inset of (A). A dynamic visualization of this structure can be found in Movie S1. The structure used is that of Akt/PKB in complex with GSK3 peptide (PDB ID: 1O6K; Yang et al., 2002), and the structural visualization on this and other subsequent figures was generated using Chimera (Pettersen et al., 2004).