› 1llr

X-ray diffraction
1.46Å resolution

CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012

Released:
DOI: 10.2210/pdb1llr/pdb
PDB entry 1llr coloured by chain, front view.
PDB entry 1llr coloured by chain, side view.
PDB entry 1llr coloured by chain, top view.
Source organism: Vibrio cholerae
Primary publication:
Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
Merritt EA, Zhang Z, Pickens JC, Ahn M, Hol WG, Fan E
J Am Chem Soc 124 8818-24 (2002)
PMID: 12137534

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176410 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholera toxin B protein (CTB) 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: 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

2 bound ligands:
Ligand FNG 5 x FNG
Ligand LNQ 5 x LNQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 102.391Å b: 65.964Å c: 78.146Å
α: 90° β: 105.97° γ: 90°
R-values:
R R work R free
0.149 0.149 0.191
Expression system: Escherichia coli

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Citations

20 review citations

From carbohydrate leads to glycomimetic drugs.
Ernst et al. (2009)
19 more