Figure 4
Docking studies of Activator-3 on AMPK. (A–B) AMPK-Activator-3 docked complexes at Site 1 (A) and Site i (B; Center of four CBS domains); considered for the current study. Activator-3 and interacting residues are shown in green and magenta sticks respectively. (C–D) Comparison of binding pose of Activator-3 with C2 (C) and AMP (D). (E) Activator-3 docked at the center of four CBS domains in presence of AMP (pink sticks) at all the three sites known from the crystal structure (PDB ID: 4CFF). In presence of AMP, the Activator-3 (green sticks) is docked at other side of R70 and R152 residues (magenta sticks). CBS domains 1, 2, 3 and 4 are shown in red, blue, cyan and green colors respectively. All the images are shown in stereo view.
