PDBe 3zur

X-ray diffraction
2.71Å resolution

Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC0-A-SNAP25-Hn-A

Primary publication:
Structures of engineered Clostridium botulinum neurotoxin derivatives.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun. 67 1466-72 (2011)
PMID: 22139146

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:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Botulinum neurotoxin A heavy chain; Synaptosomal-associated protein 25 Chains: A, B
Molecule details ›
Chains: A, B
Length: 960 amino acids
Theoretical weight: 108.57 KDa
Source organisms: Expression system: Escherichia coli BL21(DE3)
  • Canonical: P60880 (Residues: 145-206; Coverage: 30%)
  • Canonical: P0DPI1 (Residues: 3-430, 454-865; Coverage: 65%)
  • nullnull
Gene names: CBO0806, CLC_0862, SNAP, SNAP25, bna, botA
Structure domains:

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P212121
Unit cell:
a: 78.957Å b: 157.495Å c: 209.357Å
α: 90° β: 90° γ: 90°
R R work R free
0.215 0.212 0.266
Expression system: Escherichia coli BL21(DE3)