4iqp

X-ray diffraction
2.3Å resolution

Crystal Structure of HCRA-W1266A

Released:
Source organism: Clostridium botulinum
Primary publication:
Enhancing the protective immune response against botulism.
Infect Immun 81 2638-44 (2013)
PMID: 23670557

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-144070 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Botulinum neurotoxin A heavy chain Chain: A
Molecule details ›
Chain: A
Length: 426 amino acids
Theoretical weight: 49.64 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DPI1 (Residues: 871-1296; Coverage: 33%)
Gene names: CBO0806, CLC_0862, bna, botA
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 44.15Å b: 80.63Å c: 138.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.207 0.246
Expression system: Escherichia coli