Figure 2.

Gal3-binding mode at the catalytic site.A, surface structure of the catalytic center. Gal3 is represented as green (carbon) and red (oxygen) sticks. B, schematic diagram showing the interaction mode at the catalytic center. Black, red, and blue, carbon, oxygen, and nitrogen, respectively. Red lines indicate the hydrophobically interacting residues. This diagram was drawn with LigPlot+ (version 1.4.5). C, the 2F_o − F_c omit map is drawn as a blue mesh (0.8σ). Residues are shown in white (carbon), red (oxygen), and blue (nitrogen). Gal3 is shown in green (carbon) and red (oxygen). Yellow dots, hydrogen bonds and/or hydrophobic interaction; red spheres, water molecules interacting with ligands or residues.