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Literature summary extracted from
- Structure-based inhibitor discovery of Helicobacter pylori dehydroquinate synthase (2008), Biochem. Biophys. Res. Commun., 373, 1-7.
Application
| EC Number | Application | Comment | Organism |
|---|---|---|---|
| 4.2.1.10 | medicine | dehydroquinate synthase is a target for microbial agents, anti-parasitic agents and herbicides | Helicobacter pylori |
| 4.2.3.4 | drug development | potential target for new antimicrobial agents, anti-parasitic agents and herbicides | Helicobacter pylori |
Cloned(Commentary)
| EC Number | Cloned (Comment) | Organism |
|---|---|---|
| 4.2.1.10 | into the pQE30 vector for expression in Escherichia coli JM109 cells | Helicobacter pylori |
| 4.2.3.4 | 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)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 4.2.1.10 | the crystal structure of dehydroquinate synthase complexed with NAD is determined at 2.4 A resolution | Helicobacter pylori |
| 4.2.3.4 | obtained in a solution containing 20 mM NAD+ | Helicobacter pylori |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 4.2.1.10 | carbaphosphonate | - |
Helicobacter pylori |  |
| 4.2.1.10 | HTS 11955 | - |
Helicobacter pylori | |
| 4.2.1.10 | RH00573 | - |
Helicobacter pylori | |
| 4.2.3.4 | CBP | - |
Helicobacter pylori | |
| 4.2.3.4 | HTS 11955 | - |
Helicobacter pylori | |
| 4.2.3.4 | RH00573 | - |
Helicobacter pylori | |
Metals/Ions
| EC Number | Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|---|
| 4.2.3.4 | Zn2+ | - |
Helicobacter pylori | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 4.2.1.10 | 3-deoxy-D-arabino-heptulosonate 7-phosphate | Helicobacter pylori | - |
3-dehydroquinate + phosphate | - |
? | |
| 4.2.3.4 | 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
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 4.2.1.10 | Helicobacter pylori | - |
- |
- |
| 4.2.3.4 | Helicobacter pylori | P56081 | - |
- |
Purification (Commentary)
| EC Number | Purification (Comment) | Organism |
|---|---|---|
| 4.2.1.10 | purified by immobilized nickel-ion chromatography | Helicobacter pylori |
| 4.2.3.4 | expressed HpDHQS protein is purified by immobilized nickel-ion chromatography | Helicobacter pylori |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 4.2.1.10 | 3-deoxy-D-arabino-heptulosonate 7-phosphate | - |
Helicobacter pylori | 3-dehydroquinate + phosphate | - |
? | |
| 4.2.3.4 | 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
| EC Number | Subunits | Comment | Organism |
|---|---|---|---|
| 4.2.3.4 | 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
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 4.2.1.10 | dehydroquinate synthase | - |
Helicobacter pylori |
| 4.2.1.10 | DHQS | - |
Helicobacter pylori |
| 4.2.3.4 | dehydroquinate synthase | - |
Helicobacter pylori |
| 4.2.3.4 | DHQS | - |
Helicobacter pylori |
| 4.2.3.4 | hpDHQS | - |
Helicobacter pylori |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 4.2.1.10 | 37 | - |
enzymatic assay | Helicobacter pylori |
| 4.2.3.4 | 37 | - |
assay at | Helicobacter pylori |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 4.2.1.10 | 7 | - |
enzymatic assay | Helicobacter pylori |
| 4.2.3.4 | 7 | - |
assay at | Helicobacter pylori |
Cofactor
| EC Number | Cofactor | Comment | Organism | Structure |
|---|---|---|---|---|
| 4.2.1.10 | NAD+ | - |
Helicobacter pylori | |
| 4.2.3.4 | NAD+ | - |
Helicobacter pylori | |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 4.2.1.10 | 0.0000008 | - |
carbaphosphonate | - |
Helicobacter pylori | |
| 4.2.3.4 | 0.0000008 | - |
CBP | contains 5 functional groups (OH, COOH and phosphate) | Helicobacter pylori | |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 4.2.1.10 | 0.061 | - |
- |
Helicobacter pylori | HTS 11955 | |
| 4.2.1.10 | 0.0845 | - |
- |
Helicobacter pylori | RH00573 | |
| 4.2.3.4 | 0.061 | - |
in 100 mM DMSO, compound carries N or O atoms and functional groups (CN, NH2 and NO2) | Helicobacter pylori | HTS 11955 | |
| 4.2.3.4 | 0.0845 | - |
in 100 mM DMSO, compound carries N or O atoms and functional groups (CN, NH2 and NO2) | Helicobacter pylori | RH 00573 | |
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