Influenza virus neuraminidase N9 in complex with 7-deoxygenated 2,3- difluoro-N-acetylneuraminic acid

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 46% strand (DSSP).

Ligands and binding sites

• 9SM · (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl) propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid · ligand · chains A
• 9S4 · (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid · ligand · chains A
• 9SJ · 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
• MAN · alpha-D-mannopyranose · sugar · 5 copies
• 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, 1 covalent (disulfide, N-glycosylation, covalent ligand).

Compared structures

• 5W2U · Influenza virus neuraminidase N9 in complex with 7-deoxygenated… · 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 P03472
• Elsewhere: RCSB PDB 5W2U · PDBe 5W2U · UniProt P03472