Insights into the Geometrical Features Underlying β‐O‐GlcNAc Glycosylation: Water Pockets Drastically Modulate the Interactions between the Carbohydrate and the Peptide Backbone

Water pockets at key sites as well as specific hydrogen bonds modulate sugar–peptide interactions in β-N-acetyl-D-glucosamine (β-O-GlcNAc) glycopeptides (see picture). It is likely that these solvent pockets have important biological implications, providing the required presentation of the GlcNAc moieties to interact with their biological receptors. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.