Complex of H275Y/S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 44% strand (DSSP).

Ligands and binding sites

• G39 · (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy) cyclohex-1-ene-1-carboxylic acid · ligand · 4 copies · chains A, B, C, D
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains C, D, A, B
• BMA · beta-D-mannopyranose · sugar
• FUC · alpha-L-fucopyranose · sugar · chains B
• CA · Calcium ion · metal · 8 copies · chains A, B, C, D
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B, C

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

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• B–C · 1595 Ų buried · 24 hydrogen bonds · protein-protein
• A–B · 1591 Ų buried · 24 hydrogen bonds · protein-protein
• A–D · 1589 Ų buried · 23 hydrogen bonds · protein-protein
• C–D · 1583 Ų buried · 24 hydrogen bonds · protein-protein
• B–D · 19 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 disulfide, 10 glycan (disulfide, N-glycosylation).

Compared structures

• 5NZN · Complex of H275Y/S247N mutant variant of neuraminidase from H1N1 influenza virus with… · 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 W5R8B8
• Elsewhere: RCSB PDB 5NZN · PDBe 5NZN · UniProt W5R8B8