Fig. 4. Docking of 3-fluorophenyl triazolophostin with IBC showing preferred binding mode and the important cation–π and fluorine–oxygen interactions with residues Arg504 and Asp566, respectively. The cation–π distance r = 2.97 Å. The fluorophenyl moiety orients perpendicular to the triazole ring. Color code for ligands: carbon, gray; oxygen, red; nitrogen, blue; phosphorus, yellow; fluorine, cyan.
