5moy

X-ray diffraction
2.3Å resolution

Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal domain of its neuronal receptor SV2C

Released:

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:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Botulinum neurotoxin A2 heavy chain Chain: A
Molecule details ›
Chain: A
Length: 428 amino acids
Theoretical weight: 49.6 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q45894 (Residues: 871-1296; Coverage: 33%)
Gene names: CLM_0897, atx, bna, bonT, botA
Sequence domains:
Structure domains:
Synaptic vesicle glycoprotein 2C Chain: B
Molecule details ›
Chain: B
Length: 136 amino acids
Theoretical weight: 15.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q496J9 (Residues: 456-574; Coverage: 16%)
Gene names: KIAA1054, SV2C
Sequence domains: Pentapeptide repeats (9 copies)
Structure domains: E3 ubiquitin-protein ligase SopA

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P212121
Unit cell:
a: 47.74Å b: 91.57Å c: 147.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.195 0.251
Expression system: Escherichia coli