Complex of neuraminidase from H1N1 influenza virus with tamiphosphor monomethyl ester

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 45% strand (DSSP).

Ligands and binding sites

• EEW · [(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid · ligand · 2 copies · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, B
• BMA · beta-D-mannopyranose · sugar · 2 copies
• MAN · alpha-D-mannopyranose · sugar
• CA · Calcium ion · metal · 4 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 7 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 · 460 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 6G01 · Complex of neuraminidase from H1N1 influenza virus with tamiphosphor monomethyl ester · 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 C6KP13
• Elsewhere: RCSB PDB 6G01 · PDBe 6G01 · UniProt C6KP13