Fig. 5

The binding pockets (P0, P1, P2…) of AoXlnR and AoAmyR and the proposed interaction map of their strong binding metabolites viz., sulfite (H2SO3), sulfate (SLF), uroporphyrinogen III (UPGIII), ethanolamine phosphate (PETHM), D-glyceraldehyde 3-phosphate (T3P1) and taurine (TAUR). AoXlnR and AoAmyR are represented as ribbon structures. The binding pockets of AoXlnR and AoAmyR are rendered as solvent surface representations. For clarity, the location of binding pockets P7 and P8 of AoXlnR are shown with small arrows inside the respective circle. The metabolites that strongly bind to the binding pockets of AoXlnR only are highlighted in blue, whereas the metabolites that strongly bind to the binding pockets of AoAmyR only are highlighted in blue magenta. The common metabolites i.e, the metabolites that strongly bind to the binding pockets of both AoXlnR and AoAmyR are highlighted in green. The lines between the metabolites and the binding pockets indicates that respective metabolites can bind to respective binding pockets