Figure 3

Relationship between the pharmacological interactions and the active compounds of (A) ERA, (B) ER, and (C) TK. The residue with a pharmacological preference ≥ 0.4 is colored by the interaction types [H: green (E353 and R394 in ERA); E: yellow; and V: gray (L391 and F404 in ERA)]. In the profile, the first row presents the pharmacological preferences of the interacting residue groups using the color-coding bar, with red-through-black indicating high-through-low. The following rows show the interactions between the active compounds and the interacting residue groups. H, E, and V indicate the interaction types; M and S indicate the main chain and the side chain of the interacting residue, respectively. The hydrogen-bonding or electrostatic interactions are colored in green if the energy ≤ -2.5. The vdW interactions are colored in green when the energy is less than -4.