› 5lzh

X-ray diffraction
1.13Å resolution

Cholera toxin classical B-pentamer in complex with inhibitor PC262

Released:
DOI: 10.2210/pdb5lzh/pdb
PDB entry 5lzh coloured by chain, front view.
PDB entry 5lzh coloured by chain, side view.
PDB entry 5lzh coloured by chain, top view.
Source organism: Vibrio cholerae
Primary publication:
Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Heggelund JE, Mackenzie A, Martinsen T, Heim JB, Cheshev P, Bernardi A, Krengel U
Sci Rep 7 2326 (2017)
PMID: 28539625

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176409 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cholera toxin B protein (CTB) Chains: A, B, D
Molecule details ›
Chains: A, B, D
Length: 103 amino acids
Theoretical weight: 11.66 KDa
Source organism: Vibrio cholerae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q57193 (Residues: 22-124; Coverage: 100%)
Gene names: ERS013165_03981, ctxB
Sequence domains: Heat-labile enterotoxin beta chain
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Cholera toxin B protein (CTB) Chains: C, E
Molecule details ›
Chains: C, E
Length: 103 amino acids
Theoretical weight: 11.62 KDa
Source organism: Vibrio cholerae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q57193 (Residues: 22-124; Coverage: 100%)
Gene names: ERS013165_03981, ctxB
Sequence domains: Heat-labile enterotoxin beta chain
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)

Ligands and Environments

5 bound ligands:
Ligand 7BN 5 x 7BN
Ligand MRD 1 x MRD
Ligand CA 3 x CA
Ligand TRS 1 x TRS
Ligand PEG 1 x PEG
1 modified residue:
Ligand CSX 6 x CSX

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2
Unit cell:
a: 101.736Å b: 66.063Å c: 76.389Å
α: 90° β: 105.67° γ: 90°
R-values:
R R work R free
0.199 0.197 0.229
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Carbohydrate inhibitors of cholera toxin.
Kumar et al. (2018)
3 other articles

1 mention without citation

Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Heggelund et al. (2017)