› 2c8a

X-ray diffraction
1.7Å resolution

Structure of the wild-type C3bot1 Exoenzyme (Nicotinamide-bound state, crystal form I)

Released:
DOI: 10.2210/pdb2c8a/pdb
Model geometry
Fit model/data
PDB entry 2c8a coloured by chain, front view.
PDB entry 2c8a coloured by chain, side view.
PDB entry 2c8a coloured by chain, top view.
Source organism: Clostridium botulinum
Primary publication:
Structural basis for the NAD-hydrolysis mechanism and the ARTT-loop plasticity of C3 exoenzymes.
Ménétrey J, Flatau G, Boquet P, Ménez A, Stura EA
Protein Sci 17 878-86 (2008)
PMID: 18369192

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181688 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Exoenzyme C3 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 211 amino acids
Theoretical weight: 23.59 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q7M0L1 (Residues: 1-18, 19-22; Coverage: 96%)
Structure domains: Toxin ADP-ribosyltransferase; Chain A, domain 1

Ligands and Environments

2 bound ligands:
Ligand NCA 4 x NCA
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: C2
Unit cell:
a: 105.741Å b: 74.638Å c: 118.962Å
α: 90° β: 101.04° γ: 90°
R-values:
R R work R free
0.207 0.205 0.235
Expression system: Escherichia coli BL21

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Citations

4 review citations

Clostridial toxins.
Popoff et al. (2009)
3 more

1 mention without citation

Structural basis for the NAD-hydrolysis mechanism and the ARTT-loop plasticity of C3 exoenzymes.
Ménétrey et al. (2008)