PDBe 1dqs

X-ray diffraction
1.8Å resolution

CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+

Released:

Function and Biology Details

Reactions catalysed:
Shikimate + NADP(+) = 3-dehydroshikimate + NADPH. 
ATP + shikimate = ADP + shikimate 3-phosphate. 
3-deoxy-D-arabino-hept-2-ulosonate 7-phosphate = 3-dehydroquinate + phosphate. 
3-dehydroquinate = 3-dehydroshikimate + H(2)O. 
Phosphoenolpyruvate + 3-phosphoshikimate = phosphate + 5-O- (1-carboxyvinyl)-3-phosphoshikimate. 
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pentafunctional AROM polypeptide Chains: A, B
Molecule details ›
Chains: A, B
Length: 393 amino acids
Theoretical weight: 42.97 KDa
Source organism: Aspergillus nidulans
Expression system: Escherichia coli
UniProt:
  • Canonical: P07547 (Residues: 1-393; Coverage: 25%)
Gene names: AN0708, aroA, aroM, aromA
Sequence domains: 3-dehydroquinate synthase
Structure domains:

Ligands and Environments


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX7.2
Spacegroup: P212121
Unit cell:
a: 67.677Å b: 80.81Å c: 143.513Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.174 0.224
Expression system: Escherichia coli