› 1rdp

X-ray diffraction
1.35Å resolution

Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3

Released:
DOI: 10.2210/pdb1rdp/pdb
PDB entry 1rdp coloured by chain, front view.
PDB entry 1rdp coloured by chain, side view.
PDB entry 1rdp coloured by chain, top view.
Source organism: Vibrio cholerae
Primary publication:
Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Pickens JC, Mitchell DD, Liu J, Tan X, Zhang Z, Verlinde CL, Hol WG, Fan E
Chem Biol 11 1205-15 (2004)
PMID: 15380181

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

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: D, E, F, G, H
Molecule details ›
Chains: D, E, F, G, H
Length: 103 amino acids
Theoretical weight: 11.62 KDa
Source organism: Vibrio cholerae
Expression system: Escherichia coli
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

3 bound ligands:
Ligand BV3 5 x BV3
Ligand TRS 1 x TRS
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: C2
Unit cell:
a: 102.09Å b: 66.079Å c: 78.715Å
α: 90° β: 105.83° γ: 90°
R-values:
R R work R free
0.132 0.13 0.171
Expression system: Escherichia coli

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Citations

5 review citations

Be squared: expanding the horizon of squaric acid-mediated conjugations.
Wurm et al. (2013)
4 more

1 mention without citation

π-Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures.
Bauzá et al. (2019)