Figure 12
From: Polyphony: superposition independent methods for ensemble-based drug discovery
Location of Fpocket-predicted druggable binding sites selected by the Polyphony distinct pocket selection procedure (n = 3). (a) The blue pocket was ranked highest and is the ATP binding site in 2C5Y [76] chain A. The second pocket is coloured red and is from 1OI9 [79] chain C. The third in green is from 2R3L [80] chain A. (b) the blue pocket from (a) viewed from above, overlaid with a recently discovered allosteric ligand from 3PXZ [68]. The ligand from 2C5Y is shown in blue sticks.