› 5jil

X-ray diffraction
1.85Å resolution

Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase in complex with 4N-acetyl sialic acid

Released:
DOI: 10.2210/pdb5jil/pdb
PDB entry 5jil coloured by chain, front view.
PDB entry 5jil coloured by chain, side view.
PDB entry 5jil coloured by chain, top view.
Source organism: Rat coronavirus
Primary publication:
Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation.
Bakkers MJ, Zeng Q, Feitsma LJ, Hulswit RJ, Li Z, Westerbeke A, van Kuppeveld FJ, Boons GJ, Langereis MA, Huizinga EG, de Groot RJ
Proc Natl Acad Sci U S A 113 E3111-9 (2016)
PMID: 27185912

Function and Biology Details

Reaction catalysed: 
N-acetyl-O-acetylneuraminate + H(2)O = N-acetylneuraminate + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174562 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Hemagglutinin-esterase Chain: A
Molecule details ›
Chain: A
Length: 388 amino acids
Theoretical weight: 43.61 KDa
Source organism: Rat coronavirus
Expression system: Homo sapiens
UniProt:
  • Canonical: Q3HS77 (Residues: 22-400; Coverage: 87%)
Gene name: HE
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
4 bound ligands:
Ligand NAG 7 x NAG
Ligand NA 1 x NA
Ligand ZN 1 x ZN
Ligand 6KL 2 x 6KL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2221
Unit cell:
a: 57.09Å b: 184.59Å c: 78.08Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.184 0.2
Expression system: Homo sapiens

Quick links

Citations

10 review citations

Biological roles of glycans.
Varki A. (2017)
9 more

2 mentions without citation

Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation.
Bakkers et al. (2016)
1 more