› 3qiz

X-ray diffraction
2Å resolution

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163936 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Botulinum neurotoxin type A Chain: A
Molecule details ›
Chain: A
Length: 430 amino acids
Theoretical weight: 49.38 KDa
Source organism: Clostridium botulinum A str. Hall
Expression system: Escherichia coli BL21(DE3)
Structure domains: Metalloproteases ("zincins"), catalytic domain like

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand QI2 1 x QI2
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21212
Unit cell:
a: 59.23Å b: 190.654Å c: 42.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
1 more

2 mentions without citation

Newly Designed Quinolinol Inhibitors Mitigate the Effects of Botulinum Neurotoxin A in Enzymatic, Cell-Based, and ex Vivo Assays.
Bremer et al. (2017)
1 more