Figure 5
Clustering of three ibandronate molecules (BFQ) with associated Mg2+ ions in the active site of PaFPPS (chain A). Electron density (Fo − Fc OMIT map at 1.0σ) is shown around the ibandronate molecules. Motif I (DDXXXXD) is represented by Asp83, Asp84 and Asp89. Motif II (DDXXD) is represented by Asp222, Asp223 and Asp226. One molecule of ibandronate (BFQ1299) is located in the S1 binding site, similar to the binding mode of GPP seen in Fig. 4(a). |