Fig. 2: WT HvExoI in complex with thio-saccharide analogues.
From: The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases
a Thio-sophoroside (G2SG-OMe; pink); b thio-laminaribioside (4NP-G3SG; magenta); c thio-cellotrioside (G4SG4OGS; cyan); and d thio-gentiobioside (G6SG-OMe; green) moieties are bound across the −1 to +2 subsites. Panels a to d contain derived difference 2 m|Fo|-D|Fc| electron density maps (blue) of thio-analogues (also shown as insets rotated by around −90o via x-axes relative to main panels) contoured at 1.0 σ levels. Glycerol (Gol) or polyethylene glycol (PEG) and water molecules are shown in cpk orange sticks and red spheres, respectively. Distances at separations within 3.3 Å are shown in dashed lines. Ligand designations above structural images indicate thio-analogues that were perfused in crystals.
