Structure-based tetravalent zanamivir with potent inhibitory activity against drug-resistant influenza viruses

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 45% strand (DSSP).

Ligands and binding sites

• 6PY · 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid · ligand · chains A
• MAN · alpha-D-mannopyranose · sugar · 6 copies
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
• BMA · beta-D-mannopyranose · sugar
• CA · Calcium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 9 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

• 5JYY · Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt R4NFR6
• Elsewhere: RCSB PDB 5JYY · PDBe 5JYY · UniProt R4NFR6