Fig. 3.

(A), (B), and (C): Pymol 3D and LigPlot 2D schematic diagrams of protein–ligand interactions of the best mode of binding of Fluoxetine hydrochloride. (E) and (F): LigPlot 2D schematic diagrams of protein–ligand interactions of the subsequent best modes of binding of Fluoxetine hydrochloride. The interactions shown are those mediated by hydrogen bonds and by hydrophobic contacts. Hydrogen bonds are indicated by dashed lines between the atoms involved, while hydrophobic contacts are represented by an arc with spokes radiating towards the ligand atoms they contact. The contacted atoms are shown with spokes radiating back.