› 2vu9

X-ray diffraction
1.6Å resolution

CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B

Released:
DOI: 10.2210/pdb2vu9/pdb
PDB entry 2vu9 coloured by chain, front view.
PDB entry 2vu9 coloured by chain, side view.
PDB entry 2vu9 coloured by chain, top view.
Source organism: Clostridium botulinum A
Primary publication:
Crystal structure of botulinum neurotoxin type A in complex with the cell surface co-receptor GT1b-insight into the toxin-neuron interaction.
Stenmark P, Dupuy J, Imamura A, Kiso M, Stevens RC
OpenAccess logo PLoS Pathog 4 e1000129 (2008)
PMID: 18704164

Function and Biology Details

Reaction catalysed: 
Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates.
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-144070 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Botulinum neurotoxin A heavy chain Chain: A
Molecule details ›
Chain: A
Length: 444 amino acids
Theoretical weight: 51.71 KDa
Source organism: Clostridium botulinum A
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0DPI1 (Residues: 874-1296; Coverage: 33%)
Gene names: CBO0806, CLC_0862, bna, botA
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: BGC, GAL, NGA, SIA
Carbohydrate polymer
1 bound ligand:
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: C2221
Unit cell:
a: 72.7Å b: 116.11Å c: 105.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.161 0.186
Expression system: Escherichia coli BL21

Quick links

Citations

22 review citations

Sialic acids in the brain: gangliosides and polysialic acid in nervous system development, stability, disease, and regeneration.
Schnaar et al. (2014)
21 more

23 mentions without citation

Botulinum and Tetanus Neurotoxins.
Dong et al. (2019)
22 more