Figure 5

Physicochemical and shape properties of the potential ligand-binding pockets located on GRB2/VAV1 PPI interface. Three pockets were detected on the interface of GRB2/VAV1 complex [PDB:1GCQ]. The physicochemical and shape properties of the pockets are shown. These properties were used for the assessment of the druggability. For the definition and details of the properties, see [6, 26]. The druggability scores calculated are shown in the column named 'assessment by SVM'. The pocket No. 1 identified on 1GCQ_C polypeptide chain has the highest score of 0.7431 (see Table 4). The location of this pocket is illustrated using the Jmol. In the illustration, the polypeptide chain 1GCQ_B is colored lightblue and 1GCQ_C is gray. The atoms constituting the pocket are colored red.