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Literature summary for 4.2.3.4 extracted from

  • Neetu, N.; Katiki, M.; Dev, A.; Gaur, S.; Tomar, S.; Kumar, P.
    Structural and biochemical analyses reveal that chlorogenic acid inhibits the shikimate pathway (2020), J. Bacteriol., 202, e00248 .
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Providencia alcalifaciens

Crystallization (Commentary)

Crystallization (Comment) Organism
structure in complex with NAD and with NAD plus chlorogenic acid. Chlorogenic acid occupies the substrate position and coordinates with the metal ion in the substrate-binding pocket Providencia alcalifaciens

Inhibitors

Inhibitors Comment Organism Structure
chlorogenic acid competitive, inhibits the carbon-oxygen lyase activity of DHQS, and also inhibits the growth of Providencia alcalifaciens, Moraxella catarrhalis, Staphylococcus aureus, and Escherichia coli with MIC values of 60 to 100 microM. In the presence of aromatic amino acids supplied externally, chlorogenic acid does not show the toxic effect Providencia alcalifaciens

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.0074
-
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate pH 7.4, 25°C Providencia alcalifaciens

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ In the DHQS-NAD complex structure, Mg2+ shows octahedral coordination geometry, and Mg2+ coordinates with residues His248 and His265, Glu184 and three water molecules Providencia alcalifaciens

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
80000
-
PAGE Providencia alcalifaciens

Organism

Organism UniProt Comment Textmining
Providencia alcalifaciens X6Q997
-
-
Providencia alcalifaciens F90-2004 X6Q997
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate
-
Providencia alcalifaciens 3-dehydroquinate + phosphate
-
?
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate
-
Providencia alcalifaciens F90-2004 3-dehydroquinate + phosphate
-
?

Subunits

Subunits Comment Organism
dimer 2 * 41000, SDS-PAGE of recombinant His-tagged enzyme Providencia alcalifaciens

Synonyms

Synonyms Comment Organism
aroB
-
Providencia alcalifaciens
DHQS
-
Providencia alcalifaciens

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
1.5
-
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate pH 7.4, 25°C Providencia alcalifaciens

Cofactor

Cofactor Comment Organism Structure
NAD+ cofactor NAD binds in the cleft region formed between the N- and C-terminal domains of each DHQS monomer, with its nicotinamide ring oriented toward the metal ion Providencia alcalifaciens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.236
-
chlorogenic acid pH 7.4, 25°C Providencia alcalifaciens

kcat/KM [mM/s]

kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
203
-
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate pH 7.4, 25°C Providencia alcalifaciens