Fig. 1

Crystal structure and binding of fidaxomicin with ZIKV RdRp. a The chemical structure of fidaxomicin (left) and the overview of ZIKV NS5 bound to fidaxomicin (right), displayed as ribbons with the MTase domain in yellow, palm subdomain in red, finger subdomain in cyan, thumb subdomain in olive, and fidaxomicin shown as green sticks. b Residues lining the pocket for fidaxomicin (green stick) are shown as cyan sticks. Individual residues are labeled according to their numbering in the ZIKV NS5 (PDB: 5TFR), H-bond interactions are indicated with black dashed lines, and H-pi-bond interactions are shown in green dashed lines. c Two-dimensional ligand-interaction maps of co-crystals of ZIKV NS5 domains bound with fidaxomicin were generated using Molecular Operating Environment. Polar residues are colored light purple, charged residues have an additional blue ring, and lipophilic residues are green. The degree of solvent exposure is shown by the blue halos. H-bond interactions to the amino acid side chain or main chain are shown as dashed green or blue arrows, respectively, pointing towards the H-bond acceptor. Water-mediated contacts are shown as gold dashed lines