Figure 1.

Structural model of BcBOT2 with FPP 1 and new derivatives 10 and 11. (A) Model is displayed graphically in gray, with the shaded area representing the volume occupied by the three superimposed substrates, while the triad of Mg²⁺ ions is shown as red spheres. The purple shaded area shows the total volume of the binding pocket, while the magenta and cyan shaded areas indicate the volume of the hydroxyl and methoxy derivatives of FPP 10 and 11, respectively. The substituted group in each of the derivatives is indicated by a purple circle. The FPP molecule is shown in the form of green sticks. Close-up of the binding pocket with FPP derivatives 10 (B) in cyan and 11 (C) in magenta sticks superimposed on FPP 1, respectively.