› 3js3

X-ray diffraction
2.2Å resolution

Crystal structure of type I 3-dehydroquinate dehydratase (aroD) from Clostridium difficile with covalent reaction intermediate

Released:
DOI: 10.2210/pdb3js3/pdb
PDB entry 3js3 coloured by chain, front view.
PDB entry 3js3 coloured by chain, side view.
PDB entry 3js3 coloured by chain, top view.
Source organism: Clostridioides difficile 630
Primary publication:
Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
Light SH, Minasov G, Shuvalova L, Duban ME, Caffrey M, Anderson WF, Lavie A
J Biol Chem 286 3531-9 (2011)
PMID: 21087925

Function and Biology Details

Reaction catalysed: 
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172694 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 258 amino acids
Theoretical weight: 29.19 KDa
Source organism: Clostridioides difficile 630
Expression system: Escherichia coli
UniProt:
  • Canonical: Q186A6 (Residues: 1-255; Coverage: 100%)
Gene names: CD630_22170, aroD
Sequence domains: Type I 3-dehydroquinase
Structure domains: Aldolase class I

Ligands and Environments

1 bound ligand:
Ligand DHS 4 x DHS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 60.472Å b: 139.619Å c: 66.774Å
α: 90° β: 90.63° γ: 90°
R-values:
R R work R free
0.192 0.189 0.241
Expression system: Escherichia coli

Quick links

Citations

14 citation in other articles

Structural analysis of a 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with an N-terminal chorismate mutase-like regulatory domain.
Light et al. (2012)
13 more

2 mentions without citation

Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
Light et al. (2011)
1 more