Computational Assessment of RPV Binding to ZIKV NS5
Structural features of ZIKV NS5 and its potential interaction sites with RPV were characterized via computation. The structure of ZIKV NS5 is shown in new cartoon representation. The MTase and RdRp domains are colored in pink and light blue, respectively. Left panel: druggable sites are shown as site maps (yellow, hydrophobic surface; red, ligand acceptor surface; and blue, ligand donor surface). Right panels: zoom-in of the SAM site (top panel) and the palm site (bottom panel). For each site, top scoring binding modes of RPV are shown.