Figure 4 | Scientific Reports

Figure 4

From: Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil

Figure 4

BXA binding to influenza A/H1N1 PA endonuclease. BXA interacts with (A) PA-A WT and (B) PA-A I38T by chelating the two manganese ions in the active site. Top panels represent the 3D structure of BXA-bound PA-A endonuclease, whereas the bottom ones are the corresponding 2D interaction ligplots. In the structures, both BXA (in TV red for PA WT and yellow for PA I38T) and the interacting side chains (in chartreuse green for WT and TV blue for I38T) are represented as sticks, Mn ions (purple) and water molecules (red) as spheres. In blue mesh, the omit Fo-Fc density map for BXA at 3.0 σ. In the ligplots, dash lines represent hydrogen bonds, red crowns hydrophobic interactions and red circles highlight the mutation site at position 38. Structural figures were prepared using Pymol (www.pymol.org), ligand interaction plots with LigPlot+ (EMBL−EBI).