Fig. 2: Ligand-MatE interactions in the middle membrane region of the transportation cavity.

a An overview of the MatE model structure (cyan). b An overview of the Tlp model structure (purple). c The best interaction modes of MatE (cyan) and Tlp (purple) were created using AutoDock VinA. d Molecular docking methods were used to identify 2-methoxybenzoate (red) sites on the surface and in the center of the protein cavity. Hydrogen bonds are shown as black dashed lines.