› 5lzj

X-ray diffraction
1.2Å resolution

Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237

Released:
DOI: 10.2210/pdb5lzj/pdb
PDB entry 5lzj coloured by chain, front view.
PDB entry 5lzj coloured by chain, side view.
PDB entry 5lzj coloured by chain, top view.
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
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:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134384 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholera enterotoxin subunit B Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 103 amino acids
Theoretical weight: 11.66 KDa
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Expression system: Vibrio sp.
UniProt:
  • Canonical: P01556 (Residues: 22-124; Coverage: 100%)
Gene names: VC_1456, ctxB, toxB
Sequence domains: Heat-labile enterotoxin beta chain
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)

Ligands and Environments

4 bound ligands:
Ligand SO4 1 x SO4
Ligand PEG 2 x PEG
Ligand PGE 2 x PGE
Ligand 7BT 2 x 7BT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2
Unit cell:
a: 102.245Å b: 66.476Å c: 82.401Å
α: 90° β: 116.96° γ: 90°
R-values:
R R work R free
0.197 0.195 0.228
Expression system: Vibrio sp.

Quick links

Citations

1 review citation

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

2 mentions without citation

Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery.
Wakefield et al. (2020)
1 more