› 7kyf

X-ray diffraction
2.33Å resolution

Botulism Neurooxin Light Chain A app form

Released:
DOI: 10.2210/pdb7kyf/pdb
Model geometry
Fit model/data
PDB entry 7kyf coloured by chain, front view.
PDB entry 7kyf coloured by chain, side view.
PDB entry 7kyf coloured by chain, top view.
Source organism: Clostridium botulinum
Primary publication:
Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.
Amezcua M, Cruz RS, Ku A, Moran W, Ortega ME, Salzameda NT
ACS Med Chem Lett 12 295-301 (2021)
PMID: 33603978

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:
Biological process:
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-144067 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Botulinum neurotoxin A light chain Chain: C
Molecule details ›
Chain: C
Length: 417 amino acids
Theoretical weight: 47.78 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DPI0 (Residues: 1-417; Coverage: 32%)
Gene names: atx, bonT, botA
Sequence domains: Clostridial neurotoxin zinc protease

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand XC1 1 x XC1
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P21212
Unit cell:
a: 57.527Å b: 196.401Å c: 38.775Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.16 0.179
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Toxicology and pharmacology of botulinum and tetanus neurotoxins: an update.
Pirazzini et al. (2022)

1 mention without citation

Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.
Amezcua et al. (2021)