7qpu

X-ray diffraction
2.4Å resolution

Botulinum neurotoxin A5 cell binding domain in complex with GM1b oligosaccharide

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:

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-111117 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Botulinum neurotoxin sub-type A5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 433 amino acids
Theoretical weight: 50.72 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C1IPK2 (Residues: 871-1296; Coverage: 33%)
Gene names: cntA, cntA/A5
Sequence domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 44.165Å b: 129.403Å c: 78.054Å
α: 90° β: 102.961° γ: 90°
R-values:
R R work R free
0.221 0.219 0.26
Expression system: Escherichia coli BL21(DE3)