› 3nnt

X-ray diffraction
1.6Å resolution

Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate.

Released:
DOI: 10.2210/pdb3nnt/pdb
PDB entry 3nnt coloured by chain, front view.
PDB entry 3nnt coloured by chain, side view.
PDB entry 3nnt coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
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-157711 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 276 amino acids
Theoretical weight: 30.1 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli BL21(DE3)
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

1 bound ligand:
Ligand DQA 2 x DQA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P1
Unit cell:
a: 36.727Å b: 43.548Å c: 79.938Å
α: 91.18° β: 101.27° γ: 109.05°
R-values:
R R work R free
0.159 0.158 0.187
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 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)
12 more

3 mentions without citation

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