› 5w2y

X-ray diffraction
2.39Å resolution

INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID

Released:
DOI: 10.2210/pdb5w2y/pdb
PDB entry 5w2y coloured by chain, front view.
PDB entry 5w2y coloured by chain, side view.
PDB entry 5w2y coloured by chain, top view.
Source organism: Influenza A virus (A/tern/Australia/G70C/1975(H11N9))
Primary publication:
Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
McKimm-Breschkin JL, Barrett S, Pilling PA, Hader S, Watts AG, Streltsov VA
J Med Chem 61 1921-1933 (2018)
PMID: 29397718

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-137058 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Neuraminidase Chain: A
Molecule details ›
Chain: A
Length: 388 amino acids
Theoretical weight: 43.72 KDa
Source organism: Influenza A virus (A/tern/Australia/G70C/1975(H11N9))
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P03472 (Residues: 83-470; Coverage: 83%)
Gene name: NA
Sequence domains: Neuraminidase
Structure domains: Neuraminidase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
5 bound ligands:
Ligand 9T7 1 x 9T7
Ligand NAG 1 x NAG
Ligand CA 1 x CA
Ligand 9TM 1 x 9TM
Ligand 9T1 1 x 9T1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: I432
Unit cell:
a: 181.383Å b: 181.383Å c: 181.383Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.143 0.141 0.198
Expression system: Trichoplusia ni

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Citations

1 review citation

Emerging drug design strategies in anti-influenza drug discovery.
Liu et al. (2023)
1 other article