Figure 4

Ligand-PamTps1 interactions. Three-dimensional (3D) view of (A) GPP and (B) FPP docking at PamTps1 active site. The red–orange balls and stick chains represent PPi, green spheres are the Mg²⁺, the red side chains are the DDxxD motif, the orange side chains are the DTE motifs, the blue side chains are the hydrogen bond donor residues, the magenta side chains represent the aromatic residues and the cyan lines are the hydrogen bonds. Two-dimensional (2D) view of (C) GPP and (D) FPP docking at PamTps1 active site. Hydrogen bonds are shown as green dotted lines, Mg²⁺ are shown in green spheres and spoked arcs represent residues making non-bonded contacts with the hydrophobic tail of the ligand. Details of the docking result are summarized in Table S2.