Fig. 5.

Molecular docking of the siastatin B as to the active pocket of human lysosomal sialidase NEU1. (A) Predicted binding manners of siastatin B as to the active pocket of NEU1 model based on 3D-structure of human NEU2 and bacterial sialidase of M. viridifaciens. (B) Sequence alignment between human NEU2 and NEU1. Amino acid residues colored cyan indicate the putative binding site with siastatin B at acidic pH 4.0. Dashed ovals are shown as in (A) corresponding to those indicated by red squares are shown as in (B).