3zus

X-ray diffraction
2.95Å resolution

Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC-A-SNAP23-Hn-A

Released:
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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Botulinum neurotoxin A heavy chain; Synaptosomal-associated protein 23 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 927 amino acids
Theoretical weight: 106.3 KDa
Source organisms: Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0DPI1 (Residues: 3-431, 454-865; Coverage: 65%)
  • Canonical: O00161 (Residues: 150-211; Coverage: 29%)
Gene names: CBO0806, CLC_0862, SNAP23, bna, botA
Sequence domains: Clostridial neurotoxin zinc protease
Structure domains:

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 89.179Å b: 204.969Å c: 130.883Å
α: 90° β: 91.91° γ: 90°
R-values:
R R work R free
0.25 0.248 0.293
Expression system: Escherichia coli BL21(DE3)