Figure 8.

Molecular modeling of Kappaphycus alvarezii lectin. (A) Lateral view of the ribbon diagram of the modeled KAA-2 from Kappaphycus alvarezii, in complex with a pentamannoside chain (M₅, colored purple). (B) Network of hydrogen bonds (black dashed lines) anchoring M₅ to the amino acid residues Q9, G11, G12, R96, E124, G125 and P126 forming the CBS (red dashed circle) of KAA-1. The aromatic residue W10 which also participates in stacking interaction with M₅, is colored orange. (C) Molecular surface (colored slate green) at the CBS of KAA-2, forming a large depression (delineated by a yellow dashed line) harboring M₅ (M₅, colored purple) linked by a network of hydrogen bonds (black dashed lines) to Q9, G11, G12, R96, E124, G125 and P126 residues, and a stacking interaction with W10 residue (colored orange).