› 4d8s

X-ray diffraction
2.4Å resolution

Influenza NA in complex with antiviral compound

Released:
DOI: 10.2210/pdb4d8s/pdb
PDB entry 4d8s coloured by chain, front view.
PDB entry 4d8s coloured by chain, side view.
PDB entry 4d8s coloured by chain, top view.
Source organism: Influenza A virus (A/duck/Ukraine/1/1963(H3N8))
Primary publication:
Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
Bhatt B, Böhm R, Kerry PS, Dyason JC, Russell RJ, Thomson RJ, von Itzstein M
J Med Chem 55 8963-8 (2012)
PMID: 23017008

Function and Biology Details

Reaction catalysed: 
Hydrolysis of alpha-(2->3)-, alpha-(2->6)-, alpha-(2->8)- glycosidic linkages of terminal sialic acid residues in oligosaccharides, glycoproteins, glycolipids, colominic acid and synthetic substrates.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170484 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 390 amino acids
Theoretical weight: 43.21 KDa
Source organism: Influenza A virus (A/duck/Ukraine/1/1963(H3N8))
UniProt:
  • Canonical: Q07599 (Residues: 81-470; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand 0HX 1 x 0HX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: I4
Unit cell:
a: 89.388Å b: 89.388Å c: 94.754Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.184 0.236

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Citations

1 review citation

Progress of small molecular inhibitors in the development of anti-influenza virus agents.
Wu et al. (2017)
1 other article