› 4m3m

X-ray diffraction
2.1Å resolution

Influenza Neuraminidase in complex with a stereomutated analogue of Oseltamivir carboxylate

Released:
DOI: 10.2210/pdb4m3m/pdb
PDB entry 4m3m coloured by chain, front view.
PDB entry 4m3m coloured by chain, side view.
PDB entry 4m3m coloured by chain, top view.
Source organism: Influenza A virus (A/duck/Ukraine/1/1963(H3N8))
Primary publication:
Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate.
Sartori A, Dell'Amico L, Battistini L, Curti C, Rivara S, Pala D, Kerry PS, Pelosi G, Casiraghi G, Rassu G, Zanardi F
Org Biomol Chem 12 1561-9 (2014)
PMID: 24425043

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 analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170484 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 390 amino acids
Theoretical weight: 43.12 KDa
Source organism: Influenza A virus (A/duck/Ukraine/1/1963(H3N8))
UniProt:
  • Canonical: Q07599 (Residues: 80-469; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

3 bound ligands:
Ligand 22N 1 x 22N
Ligand CA 1 x CA
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: I4
Unit cell:
a: 90.832Å b: 90.832Å c: 111.987Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.174 0.216

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Citations

1 review citation

Influenza Neuraminidase Inhibitors: Synthetic Approaches, Derivatives and Biological Activity.
Laborda et al. (2016)
4 other articles