PDBe 3fie

X-ray diffraction
2.1Å resolution

Crystal structure of Clostridium botulinum neurotoxin serotype F catalytic domain with an inhibitor (inh1)


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.

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Botulinum neurotoxin F light chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 427 amino acids
Theoretical weight: 48.75 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli
  • Canonical: NEW A7GBG3 (Residues: 1-419; Coverage: 33%)
Gene names: CLI_0851, F, boNT/F, bont
Sequence domains: Clostridial neurotoxin zinc protease
Structure domains: Metalloproteases ("zincins"), catalytic domain like
Vesicle-associated membrane protein 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 38 amino acids
Theoretical weight: 4.28 KDa
Source organism: Homo sapiens
Expression system: Not provided
  • Canonical: NEW P63027 (Residues: 22-57; Coverage: 31%)
Gene names: SYB2, VAMP2

Ligands and Environments

1 bound ligand:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: P1
Unit cell:
a: 55.637Å b: 61.389Å c: 70.027Å
α: 94.24° β: 89.92° γ: 113.27°
R R work R free
0.228 0.228 0.279
Expression systems:
  • Escherichia coli
  • Not provided