Figure 4. Molecular docking of AMP into the LdAdK active site.

Computer-assisted docking of AMP into the LdAdK active site was carried out as described in the Experimental section. (A) Comparison of the AMP- and Ado-binding sites. The Figure was generated by superimposing the spatial locations of AMP (red) and Ado (yellow) in the catalytic site of LdAdK. (B) Hydrogen-bond networks (along with the inter-atomic distances) between the docked AMP and the side chain of Arg¹³¹ shown by the broken line.