Figure 8.

A) The crystal structure of the complex of 3 with LecB at 1.6 Å shows a surface binding of the cinnamide residue to the protein. The superposition of all four binding sites indicates coordination of the cinnamic acid residue to the protein in one monomer and no interaction with LecB in three of the four monomers. The latter results from extended interligand stacking interactions in neighboring binding sites due to the crystal packing. B) Surface for monomer 2 with electron density for 3: the cinnamide substituent forms lipophilic interactions with Gly97 and Thr98 and one water‐mediated hydrogen bond via the carbonyl oxygen with Ser23.