› 6hp0

X-ray diffraction
1.88Å resolution

Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative

Released:
DOI: 10.2210/pdb6hp0/pdb
PDB entry 6hp0 coloured by chain, front view.
PDB entry 6hp0 coloured by chain, side view.
PDB entry 6hp0 coloured by chain, top view.
Source organism: Influenza A virus (A/Texas/17/2009(H1N1))
Primary publication:
Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.
Zima V, Albiñana CB, Rojíková K, Pokorná J, Pachl P, Řezáčová P, Hudlicky J, Navrátil V, Majer P, Konvalinka J, Kožíšek M, Machara A
Bioorg Med Chem 27 2935-2947 (2019)
PMID: 31128993

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-111598 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Neuraminidase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 388 amino acids
Theoretical weight: 42.73 KDa
Source organism: Influenza A virus (A/Texas/17/2009(H1N1))
Expression system: Drosophila melanogaster
UniProt:
  • Canonical: C6KP13 (Residues: 82-469; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC, BMA, MAN
Carbohydrate polymer
5 bound ligands:
Ligand CA 8 x CA
Ligand GJT 4 x GJT
Ligand NAG 6 x NAG
Ligand EDO 29 x EDO
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 85.842Å b: 126.861Å c: 96.906Å
α: 90° β: 93.93° γ: 90°
R-values:
R R work R free
0.185 0.185 0.222
Expression system: Drosophila melanogaster

Quick links

Citations

2 citation in other articles

Pyrrolo[2,3-e]indazole as a novel chemotype for both influenza A virus and pneumococcal neuraminidase inhibitors.
Egorova et al. (2023)
1 more

7 mentions without citation

Robust Antiviral Activity of Santonica Flower Extract (Artemisia cina) against Avian and Human Influenza A Viruses: In Vitro and Chemoinformatic Studies.
Hegazy et al. (2022)
6 more