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![[Figure 4]](jc5037fig4mag.jpg)
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Figure 4
Analysis of sugar–enzyme interactions. (a) Cartoon representation, focusing on Gln16 of Mol B that forms two strong hydrogen bonds to −1 GlcNAc, partially obstructing the entrance to the active site of Mol A. (b) Hydrogen bonds are formed between the bound GlcNAc (black sticks) and the sugar-binding residues (green/blue sticks) around subsite −1. The interactions were generated at 3.5 Å distance by PyMOL. The C atoms of the binding residues are shown in green and the sugar molecules in black, with N atoms in blue and O atoms in red. Water molecules that help to mediate the interactions are presented as red balls. (c) Surface representation of the sugar-binding pocket of the unliganded form of VhGlcNAcase. (d) Surface representation of the sugar-binding pocket of the VhGlcNAcase–GlcNAc complex, showing local changes causing closure of the substrate-binding pocket around subsite −1 relative to the binding pocket in apo VhGlcNAcase. |
![[Figure 4]](jc5037fig4.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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