Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester

Structure

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

Ligands and binding sites

• EF8 · 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium · ligand · 2 copies · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
• CA · Calcium ion · metal · 3 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 11 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 326 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide, 6 glycan (disulfide, N-glycosylation).

Compared structures

• 6G02 · Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl… · 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 C3W6G3
• Elsewhere: RCSB PDB 6G02 · PDBe 6G02 · UniProt C3W6G3