X-ray diffraction
2.7Å resolution

Structure of BoNT

Entry authors: Lam K, Jin R

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:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Botulinum neurotoxin A heavy chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 327 amino acids
Theoretical weight: 37.5 KDa
Source organism: Clostridium botulinum A str. ATCC 19397
Expression system: Escherichia coli
  • Canonical: P0DPI0 (Residues: 547-871; Coverage: 25%)
Gene names: atx, bonT, botA
Sequence domains: Clostridium neurotoxin, Translocation domain

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: R32
Unit cell:
a: 167.659Å b: 167.659Å c: 222.834Å
α: 90° β: 90° γ: 120°
R R work R free
0.21 0.209 0.223
Expression system: Escherichia coli