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Literature summary for 4.2.3.4 extracted from

  • Liu, J.S.; Cheng, W.C.; Wang, H.J.; Chen, Y.C.; Wang, W.C.
    Structure-based inhibitor discovery of Helicobacter pylori dehydroquinate synthase (2008), Biochem. Biophys. Res. Commun., 373, 1-7.
    View publication on PubMed

Application

Application Comment Organism
drug development potential target for new antimicrobial agents, anti-parasitic agents and herbicides Helicobacter pylori

Cloned(Commentary)

Cloned (Comment) Organism
The aroB gene encoding HpDHQS is amplified from genomic DNA by PCR and inserted into the pQE30 expression vector. The HpDHQS protein is expressed from Escherichia coli JM109 cells transformed with pQE30-HpDHQS Helicobacter pylori

Crystallization (Commentary)

Crystallization (Comment) Organism
obtained in a solution containing 20 mM NAD+ Helicobacter pylori

Inhibitors

Inhibitors Comment Organism Structure
CBP
-
Helicobacter pylori
HTS 11955
-
Helicobacter pylori
RH00573
-
Helicobacter pylori

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+
-
Helicobacter pylori

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
3-deoxy-D-arabino-heptulosonate 7-phosphate Helicobacter pylori second key step in the shikimate pathway which is crucial for the aromatic amino acid metabolism in bacteria, fungi, and plants, but not in mammals 3-dehydroquinate + phosphate
-
?

Organism

Organism UniProt Comment Textmining
Helicobacter pylori P56081
-
-

Purification (Commentary)

Purification (Comment) Organism
expressed HpDHQS protein is purified by immobilized nickel-ion chromatography Helicobacter pylori

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3-deoxy-D-arabino-heptulosonate 7-phosphate second key step in the shikimate pathway which is crucial for the aromatic amino acid metabolism in bacteria, fungi, and plants, but not in mammals Helicobacter pylori 3-dehydroquinate + phosphate
-
?

Subunits

Subunits Comment Organism
dimer electron density map reveals 2 molecules (AB) per asymmetric unit. Disordered regions include the N-terminal 1-3 segment and 2 loop regions. The electron density map shows the presence of a piece of density in each subunit, which could be modeled as a zinc ion in each subunit. Subunits A and B associate into an AB dimer related by a non-crystallographic two-fold axis, and three AB dimers assemble into a hexamer along the 3-fold axis Helicobacter pylori

Synonyms

Synonyms Comment Organism
dehydroquinate synthase
-
Helicobacter pylori
DHQS
-
Helicobacter pylori
hpDHQS
-
Helicobacter pylori

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
assay at Helicobacter pylori

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7
-
assay at Helicobacter pylori

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Helicobacter pylori

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000008
-
CBP contains 5 functional groups (OH, COOH and phosphate) Helicobacter pylori

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.061
-
in 100 mM DMSO, compound carries N or O atoms and functional groups (CN, NH2 and NO2) Helicobacter pylori HTS 11955
0.0845
-
in 100 mM DMSO, compound carries N or O atoms and functional groups (CN, NH2 and NO2) Helicobacter pylori RH 00573