Potential of Peptides as Inhibitors and Mimotopes: Selection of Carbohydrate-Mimetic Peptides from Phage Display Libraries
(a) Computer simulation of the interaction between peptide s2(1–5) and HA. A docking pose of the s2(1–5)-HA complex (left) and schematic diagram of the binding site of HA (right). The peptide is thought to be recognized by the Neu5Ac-Gal receptor-binding pocket. The peptide is shown as a stick model. Three potential hydrogen bonds (green dotted lines) between H3 and s2(1–5) are proposed (Glu190-Leu3, Ser136-Pro4, and Asn137-Arg5), which are similar to those in H3-Neu5Ac. Adapted from reference . (b) Schematic diagram of the binding site of H3HA (Protein Data Bank entry, 1HGG). Neu5Acα2–3Gal-Glc (sialyllactose) is shown in red. Modified from . (c) Comparison of the polar interactions shown in the oligosaccharide (O-antigen of S. flexneri serotype 2a) and peptide B1 (YLEDWIKYNNQK) complexes of monoclonal antibody F22-4. The peptide and oligosaccharide ligands are distinguished by carbon atoms shown in cyan and pink, respectively (P, peptide; Rha, rhamnose). The carbon atoms of the F22-4 residues are shown in green (H, heavy chain; L, light chain). Adapted from .
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