› 2ya8

X-ray diffraction
1.75Å resolution

Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with Oseltamivir carboxylate

Released:
DOI: 10.2210/pdb2ya8/pdb
PDB entry 2ya8 coloured by chain, front view.
PDB entry 2ya8 coloured by chain, side view.
PDB entry 2ya8 coloured by chain, top view.
Source organism: Streptococcus pneumoniae TIGR4
Primary publication:
Structural basis for Streptococcus pneumoniae NanA inhibition by influenza antivirals zanamivir and oseltamivir carboxylate.
Gut H, Xu G, Taylor GL, Walsh MA
J Mol Biol 409 496-503 (2011)
PMID: 21514303

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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158648 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sialidase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 493 amino acids
Theoretical weight: 55.35 KDa
Source organism: Streptococcus pneumoniae TIGR4
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P62575 (Residues: 318-792; Coverage: 48%)
Gene name: nanA
Sequence domains: BNR repeat-like domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand G39 2 x G39
Ligand CL 2 x CL
Ligand FMT 4 x FMT
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: C2
Unit cell:
a: 165.754Å b: 48.492Å c: 125.183Å
α: 90° β: 104.04° γ: 90°
R-values:
R R work R free
0.183 0.181 0.225
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

Interactions between Streptococcus pneumoniae and influenza virus: a mutually beneficial relationship?
Short et al. (2012)
5 more

1 mention without citation

Sequence diversity of NanA manifests in distinct enzyme kinetics and inhibitor susceptibility.
Xu et al. (2016)