› 1xog

X-ray diffraction
2.8Å resolution

N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid

Released:
DOI: 10.2210/pdb1xog/pdb
PDB entry 1xog coloured by chain, front view.
PDB entry 1xog coloured by chain, side view.
PDB entry 1xog coloured by chain, top view.
Source organism: Influenza A virus
Primary publication:
Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Wang GT, Wang S, Gentles R, Sowin T, Maring CJ, Kempf DJ, Kati WM, Stoll V, Stewart KD, Laver G
Bioorg Med Chem Lett 15 125-8 (2005)
PMID: 15582424

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 domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137058 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 387 amino acids
Theoretical weight: 43.57 KDa
Source organism: Influenza A virus
UniProt:
  • Canonical: P03472 (Residues: 84-470; Coverage: 82%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

Carbohydrate polymer : NEW Components: MAN, NAG, BMA
Carbohydrate polymer
3 bound ligands:
Ligand MAN 1 x MAN
Ligand NAG 2 x NAG
Ligand ABW 1 x ABW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: I432
Unit cell:
a: 180.344Å b: 180.344Å c: 180.344Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.221 0.297

Quick links

Citations

3 review citations

Antiviral agents active against influenza A viruses.
De Clercq E. (2006)
2 more

4 mentions without citation

Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.
Allen et al. (2017)
3 more