Complex of H275Y/I223V 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 · 13 copies · chains C, A, D, B
• MAN · alpha-D-mannopyranose · sugar · 2 copies
• BMA · beta-D-mannopyranose · sugar
• CA · Calcium ion · metal · 9 copies · chains A, B, C, D
• NA · Sodium ion · metal · chains D
• EDO · 1,2-ethanediol · additive · 11 copies · chains A, B, C, D

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.

• A–D · 1593 Ų buried · 25 hydrogen bonds · protein-protein
• A–B · 1586 Ų buried · 23 hydrogen bonds · protein-protein
• C–D · 1584 Ų buried · 22 hydrogen bonds · protein-protein
• B–C · 1562 Ų buried · 22 hydrogen bonds · protein-protein
• B–D · 19 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 disulfide, 11 glycan (disulfide, N-glycosylation).

Compared structures

• 5NZF · Complex of H275Y/I223V 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 5NZF · PDBe 5NZF · UniProt W5R8B8