Fig 4. Top scoring ligands ZINC29590263 and ZINC18141294 and their interactions with Rab11.

The figure shows the interactions of the ligands (labeled) with the residues of the Rab11 structures in which they scored the best. ZINC29590263, ZINC29590257, and ZINC29590259 are isomers. The ligand and Rab11 side chains are shown in ball-and-stick representation. Black circles denote carbon atoms, red circles denote oxygen atoms and blue circles denote nitrogen atoms. The ligand bonds are colored in purple. Residues in Rab11 interacting with the ligand are labeled. Hydrogen bonds are shown as green dotted lines. The Rab11 residues making nonbonded contacts with the ligand are shown as spoked arcs. Figures are generated using LigPlot+ [66][67].