› 1nr5

X-ray diffraction
2.1Å resolution

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

Released:
DOI: 10.2210/pdb1nr5/pdb
PDB 1nr5 coloured by chain and viewed from the front.
PDB 1nr5 coloured by chain and viewed from the side.
PDB 1nr5 coloured by chain and viewed from the top.
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: 
3-dehydroquinate = 3-dehydroshikimate + H(2)O
3-deoxy-D-arabino-hept-2-ulosonate 7-phosphate = 3-dehydroquinate + phosphate
Phosphoenolpyruvate + 3-phosphoshikimate = phosphate + 5-O-(1-carboxyvinyl)-3-phosphoshikimate
ATP + shikimate = ADP + shikimate 3-phosphate
Shikimate + NADP(+) = 3-dehydroshikimate + NADPH
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (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
4 bound ligands:
Ligand ZN 2 x ZN
Ligand CL 2 x CL
Ligand CRB 2 x CRB
Ligand CO 1 x CO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21212
Unit cell:
a: 133.99Å b: 86.56Å c: 74.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.185 0.232
Expression system: Escherichia coli

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Citations

1 review citation

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