FIGURE 2.

Interactions between JF-31-MG46 and the DENV-3 RdRp. A, the residues lining the DENV palm pocket are shown as blue sticks, with the compound JF-31-MG46 shown as orange sticks. The individual residues are labeled according to their numbering in the DENV-3 polymerase. B, two-dimensional ligand interaction map generated using a molecular operating environment. Polar residues are colored light purple, and basic residues also have a blue ring. Hydrophobic residues are green. The degree of solvent exposure is shown by the blue halos. H-bond interactions to the amino acid side chain are shown as dashed green arrows pointing toward the H-bond acceptor. The ionic interaction is shown as a dashed purple line, and water-mediated contacts are shown as gold dashed lines. C, Surface representation of the DENV-3 palm pocket with the compound shown as orange sticks.