› 1nrx

X-ray diffraction
2.9Å resolution

Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD

Released:
DOI: 10.2210/pdb1nrx/pdb
PDB entry 1nrx coloured by chain, front view.
PDB entry 1nrx coloured by chain, side view.
PDB entry 1nrx coloured by chain, top view.
Source organism: Aspergillus nidulans
Primary publication:
Ligand-induced conformational changes and a mechanism for domain closure in Aspergillus nidulans dehydroquinate synthase.
Nichols CE, Ren J, Lamb HK, Hawkins AR, Stammers DK
J Mol Biol 327 129-44 (2003)
PMID: 12614613

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139612 (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


Cofactor: Ligand NAD 2 x NAD
2 bound ligands:
Ligand ZN 2 x ZN
Ligand CL 14 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 72.4Å b: 83.5Å c: 149Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.294
Expression system: Escherichia coli

Quick links

Citations

1 review citation

The sedoheptulose 7-phosphate cyclases and their emerging roles in biology and ecology.
Osborn et al. (2017)
15 other articles

2 mentions without citation

Structure of a sedoheptulose 7-phosphate cyclase: ValA from Streptomyces hygroscopicus.
Kean et al. (2014)
1 more