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X-ray diffraction
1.78Å resolution

1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate

Released:
DOI: 10.2210/pdb4gui/pdb
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Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Primary publication:
Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of Schiff base formation.
Light SH, Antanasijevic A, Krishna SN, Caffrey M, Anderson WF, Lavie A
Biochemistry 53 872-80 (2014)
PMID: 24437575

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-157711 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 255 amino acids
Theoretical weight: 27.63 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P58687 (Residues: 1-252; Coverage: 100%)
Gene names: STM1358, aroD
Sequence domains: Type I 3-dehydroquinase
Structure domains: Aldolase class I

Ligands and Environments

2 bound ligands:
Ligand QIC 2 x QIC
Ligand NI 6 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 48.669Å b: 74.427Å c: 63.135Å
α: 90° β: 100.57° γ: 90°
R-values:
R R work R free
0.161 0.159 0.188
Expression system: Escherichia coli BL21

Quick links

Citations

1 review citation

Stereochemistry of enzymatic water addition to C=C bonds.
Chen et al. (2015)
4 other articles

2 mentions without citation

Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of Schiff base formation.
Light et al. (2014)
1 more