› 2qwg

X-ray diffraction
1.8Å resolution

THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE

Released:
DOI: 10.2210/pdb2qwg/pdb
PDB entry 2qwg coloured by chain, front view.
PDB entry 2qwg coloured by chain, side view.
PDB entry 2qwg coloured by chain, top view.
Source organism: Influenza A virus
Primary publication:
Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Varghese JN, Smith PW, Sollis SL, Blick TJ, Sahasrabudhe A, McKimm-Breschkin JL, Colman PM
Structure 6 735-46 (1998)
PMID: 9655825

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 (3 distinct):
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 388 amino acids
Theoretical weight: 43.7 KDa
Source organism: Influenza A virus
UniProt:
  • Canonical: P03472 (Residues: 83-470; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NAG 1 x NAG
Ligand CA 2 x CA
Ligand G28 1 x G28
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MACSCIENCE M18X
Spacegroup: I432
Unit cell:
a: 180.89Å b: 180.89Å c: 180.89Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.183 not available

Quick links

Citations

24 review citations

Influenza hemagglutinin and neuraminidase membrane glycoproteins.
Gamblin et al. (2010)
23 more

3 mentions without citation

Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition.
Dominiak et al. (2009)
2 more