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› 3ny6

X-ray diffraction
1.68Å resolution

Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30

Released:
DOI: 10.2210/pdb3ny6/pdb
Model geometry
Fit model/data
PDB entry 3ny6 coloured by chain, front view.
PDB entry 3ny6 coloured by chain, side view.
PDB entry 3ny6 coloured by chain, top view.
Source organism: Vibrio cholerae
Primary publication:
Newly discovered and characterized antivirulence compounds inhibit bacterial mono-ADP-ribosyltransferase toxins.
Turgeon Z, Jørgensen R, Visschedyk D, Edwards PR, Legree S, McGregor C, Fieldhouse RJ, Mangroo D, Schapira M, Merrill AR
Antimicrob Agents Chemother 55 983-91 (2011)
PMID: 21135177

Function and Biology Details

Reaction catalysed: 
diphthamide-[translation elongation factor 2] + NAD(+) = N-(ADP-D-ribosyl)diphthamide-[translation elongation factor 2] + nicotinamide +H(+).
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177028 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholix toxin Chain: A
Molecule details ›
Chain: A
Length: 211 amino acids
Theoretical weight: 23.33 KDa
Source organism: Vibrio cholerae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5EK40 (Residues: 459-665; Coverage: 33%)
Gene names: chxA, toxA
Sequence domains: Exotoxin A catalytic
Structure domains: Diphtheria Toxin, domain 1

Ligands and Environments

3 bound ligands:
Ligand GOL 2 x GOL
Ligand V30 1 x V30
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: MAX II BEAMLINE I911-2
Spacegroup: P212121
Unit cell:
a: 35.489Å b: 64.973Å c: 86.603Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.2
Expression system: Escherichia coli

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Citations

6 review citations

Role of quorum sensing in bacterial infections.
Castillo-Juárez et al. (2015)
5 more

4 mentions without citation

The Father, Son and Cholix Toxin: The Third Member of the DT Group Mono-ADP-Ribosyltransferase Toxin Family.
Lugo et al. (2015)
3 more