Figure 4.

Structure of human farnesyl pyrophosphate synthase. (A) Binding of zoledronate (1a) at the allylic site (PDB ID: 2ZW5). Mg²⁺ ions and water oxygen atoms are shown as yellow and red spheres, respectively. Yellow dashes indicate molecular interactions. (B) Binding of compound 8a (PDB ID: 4DEM). The hydrophobic channel accommodating the side chain of the inhibitor is rendered in a semi-transparent surface representation. (C) Binding of IPP at the homoallylic site (PDB ID: 4H5E). (D) Conformational changes responsible for structuring the C-terminal tail. (E) Binding of compound 13 at the allosteric site (PDB ID: 3N6K).