Figure 7
Visualisation of the detected pockets and the most probable ANS binding sites. All detected pockets are depicted as dotted grids. The three visually inspected sites which led to the highest scores after consensus docking are highlighted in blue (pocket 0), yellow (pocket 1), and red (pocket 2). The sub-pockets with the highest ranks according to the scores are highlighted in bright colors (sub-pockets 0_1, 0_2, 2_0, 2_1, and 1_0). The predicted ANS binding mode for these sub-pockets and a representation of the pocket surface are given in the inserts to highlight the exposed nature of sub-pockets 1_0 and 2_1. Additionally, the ratio of the buried and total ligand surface (SB/T) is given as calculated with PLATINUM50.
