4kbb

X-ray diffraction
2.3Å resolution

Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a

Released:
Primary publication:
Structure of dual receptor binding to botulinum neurotoxin B.
Nat Commun 4 2058 (2013)
PMID: 23807078

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:
Cellular component:

Structure analysis Details

Assembly composition:
Non-polymer only dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (3 distinct):
Botulinum neurotoxin B heavy chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 459 amino acids
Theoretical weight: 54.92 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli
UniProt:
  • Canonical: P10844 (Residues: 857-1291; Coverage: 34%)
Gene name: botB
Sequence domains:
Structure domains:
Synaptotagmin-2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 68 amino acids
Theoretical weight: 7.56 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P46097 (Residues: 8-61; Coverage: 13%)
Gene name: Syt2

Ligands and Environments

Carbohydrate polymer : NEW Components: BGC, GAL, NGA, SIA
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 47.163Å b: 158.237Å c: 75.244Å
α: 90° β: 108.44° γ: 90°
R-values:
R R work R free
0.159 0.156 0.189
Expression system: Escherichia coli