Fig 1. Comparison of experimentally determined and docked conformations of SAH (A) and the SAH-based inhibitor 36A (B) in the SAM-binding pocket of the DENV3 MTase.

The MTase was in cartoon representation in grey color with representative contact residues in stick representation. Ligands (SAH or 36A) were in stick representation. Colors for atoms unless specified: oxygen, red; nitrogen, blue; carbon for MTase residues, grey; carbon for ligands (crystallography-determined), magenta; carbon for ligands (docked), cyan.