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. Author manuscript; available in PMC: 2015 Oct 1.
Published in final edited form as: Curr Opin Struct Biol. 2014 Aug 7;0:47–55. doi: 10.1016/j.sbi.2014.07.001

Figure 3.

Figure 3

Left: solvent accessible surface of the lentil lectin Concanavalin A (light blue) in complex with the natural trisaccharide ligand (PDB: 1CVN). Waters of crystallization are shown as red spheres. Superimposed are the waters of crystallization (dark blue) from the ligand-free structure (PDB: 1GKB). Key waters, which appear to be displaced by the ligand, as well as a conserved water molecule (Wat40), are shown as larger spheres [57]. Right: results from docking a hyaluronan tetrasaccharide to CD44 (orange, ribbon model) using the water-site biased docking method. The top ranked pose (ball and stick model) has an RMSD of 0.7 Å from the reference ligand position (stick model) [63].