Ligand 2,6-dihydroxybenzoate

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Basic Ligand Information

Molecular Structure
Picture of 2,6-dihydroxybenzoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H6O4
2,6-dihydroxybenzoate
AKEUNCKRJATALU-UHFFFAOYSA-N
Synonyms:
2,6-dihydroxybenzoic acid, ZINC00388545

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2,6-dihydroxybenzoate = 1,3-dihydroxybenzene + CO2
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
1,3-dihydroxybenzene + CO2 = 2,6-dihydroxybenzoate
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2,6-dihydroxybenzoate + O2 = ?
show the reaction diagram
-
2,6-dihydroxybenzoate + NADH + H+ + O2 = ?
show the reaction diagram
-
2,6-dihydroxybenzoate = 1,3-dihydroxybenzene + CO2
show the reaction diagram
-
2,6-dihydroxybenzoate = 1,3-dihydroxybenzene + CO2
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE

Inhibitor in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
biologically active, 72% inhibition at 0.2 mM
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competitive with respect to 2-oxoglutarate and ascorbate, noncompetitive with respect to Fe2+
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0.1 mM, 27% inhibition
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i.e. 2,6-dihydroxybenzoic acid, inhibitor obtained from virtual screening
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noncompetitive
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3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE

KM Value (6 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.9398
-
in 50 mM MES buffer (pH 6.4), at 22°C

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
1.1
-
-

References & Links

Links to other databases for 2,6-dihydroxybenzoate

ChEBI
PubChem
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PubChem