› 3ti4

X-ray diffraction
1.6Å resolution

Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir octanoate

Released:
DOI: 10.2210/pdb3ti4/pdb
PDB entry 3ti4 coloured by chain, front view.
PDB entry 3ti4 coloured by chain, side view.
PDB entry 3ti4 coloured by chain, top view.
Source organism: Influenza A virus (A/California/04/2009(H1N1))
Primary publication:
Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition.
Vavricka CJ, Li Q, Wu Y, Qi J, Wang M, Liu Y, Gao F, Liu J, Feng E, He J, Wang J, Liu H, Jiang H, Gao GF
OpenAccess logo PLoS Pathog 7 e1002249 (2011)
PMID: 22028647

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-111249 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Neuraminidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 388 amino acids
Theoretical weight: 42.73 KDa
Source organism: Influenza A virus (A/California/04/2009(H1N1))
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: C3W5S3 (Residues: 82-469; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
5 bound ligands:
Ligand NAG 3 x NAG
Ligand CA 5 x CA
Ligand LVO 2 x LVO
Ligand ACT 5 x ACT
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: C2221
Unit cell:
a: 118.664Å b: 137.102Å c: 118.571Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.142 0.14 0.177
Expression system: Spodoptera frugiperda

Quick links

Citations

13 review citations

Influenza virus resistance to neuraminidase inhibitors.
Samson et al. (2013)
12 more

6 mentions without citation

Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition.
Vavricka et al. (2011)
5 more