› 2qwi

X-ray diffraction
2Å resolution

THE X-RAY STRUCTURE OF A COMPLEX OF N-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND WILDTYPE TERN N9 INFLUENZA VIRUS NEURAMINIDASE

Released:
DOI: 10.2210/pdb2qwi/pdb
PDB entry 2qwi coloured by chain, front view.
PDB entry 2qwi coloured by chain, side view.
PDB entry 2qwi 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 (2 distinct):
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 388 amino acids
Theoretical weight: 43.72 KDa
Source organism: Influenza A virus
Expression system: Gallus gallus
UniProt:
  • Canonical: P03472 (Residues: 83-470; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

Carbohydrate polymer : NEW Components: MAN, NAG, BMA
Carbohydrate polymer
4 bound ligands:
Ligand MAN 1 x MAN
Ligand NAG 2 x NAG
Ligand CA 1 x CA
Ligand G20 1 x G20
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-6A
Spacegroup: I432
Unit cell:
a: 182.8Å b: 182.8Å c: 182.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.184 not available
Expression system: Gallus gallus

Quick links

Citations

24 review citations

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

6 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)
5 more