› 1vcj

X-ray diffraction
2.4Å resolution

Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one

Released:
DOI: 10.2210/pdb1vcj/pdb
PDB entry 1vcj coloured by chain, front view.
PDB entry 1vcj coloured by chain, side view.
PDB entry 1vcj coloured by chain, top view.
Source organism: Influenza B virus (B/Lee/1940)
Primary publication:
A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase.
Lommer BS, Ali SM, Bajpai SN, Brouillette WJ, Air GM, Luo M
Acta Crystallogr D Biol Crystallogr 60 1017-23 (2004)
PMID: 15159560

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-137060 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 389 amino acids
Theoretical weight: 43.33 KDa
Source organism: Influenza B virus (B/Lee/1940)
UniProt:
  • Canonical: P03474 (Residues: 78-466; Coverage: 84%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

1 bound ligand:
Ligand IBA 1 x IBA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P4212
Unit cell:
a: 124.36Å b: 124.36Å c: 71.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.214 0.255

Quick links

Citations

1 citations in other articles

Crystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking subsite C6.
Venkatramani et al. (2012)

9 mentions without citation

Variability in docking success rates due to dataset preparation.
Corbeil et al. (2012)
8 more