Figure 2: Docking of amiloride analogues.
Our optimized CVB3 3Dpol structure (based upon PDB code: 3CDU, [8] is shown as grey cartoon. The blue spheres denoting amiloride, show a partial overlap in the binding site to the previously reported [5] position of ATP (red spheres), and displays a distinct overlap with the previously determined position of the Mg2+ atoms (purple spheres, PDB code: 3OL7, [18]). The position of the RNA template (orange cartoon, PDB code: 3OL7, [18], not used in docking experiments) is also shown.