Ligand 5-thio-2-nitrobenzoate

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Basic Ligand Information

Molecular Structure
Picture of 5-thio-2-nitrobenzoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5NO4S
5-thio-2-nitrobenzoate
GANZODCWZFAEGN-UHFFFAOYSA-M
Synonyms:
2-nitro-5-mercaptobenzoic acid, 2-nitro-5-sulfanylbenzoic acid, 2-nitro-5-thiobenzoate, 2-nitro-5-thiobenzoic acid, 3-carboxy-4-nitrobenzenethiol, 3-carboxy-4-nitrothiophenoxide, 3-carboxy 4-nitrobenzenethiol, 5'-thionitrobenzoic acid, 5-mercapto-2-nitrobenzoate, 5-mercapto-2-nitrobenzoic acid, 5-thio-2-nitrobenzoic acid, thionitrobenzoate, thionitrobenzoic acid

Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (10 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2-nitro-5-thiobenzoic acid + O2 = ? + H2O
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (22 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid) = trypanothione disulfide + thionitrobenzoate
show the reaction diagram
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5,5'-dithiobis(2-nitrobenzoic acid) + NADPH + H+ = 2-nitro-5-thiobenzoate + NADP+
show the reaction diagram
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acetyl-CoA + 5,5'-dithiobis-(2-nitrobenzoic acid) = CoA + 5-thio-2-nitrobenzoic acid
show the reaction diagram
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thiobenzyl benzyloxycarbonyl-L-lysinate + H2O = 3-carboxy-4-nitrothiophenoxide + ?
show the reaction diagram
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glyoxylate + acetyl-CoA + 5,5'-dithiobis-(2-nitrobenzoic acid) = 5-mercapto-2-nitrobenzoic acid + ?
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (5 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
40fold molar excess, gradual 99% loss of enzyme activity
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competitive inhibitor of myeloperoxidase
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binds specifically to the sulfenic acid reaction intermediate
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binds specifically to the sulfenic acid reaction intermediate
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molecular docking simulation into the redox-active site, residues C37, G38, H39, C40. Inhibitor binds to hydrophobic amino acidsA34, W36, C37, C40, H39, T68 and F80. The redox inhibitory conformations are energetically and statistically favored
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3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

KM Value (11 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
100
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References & Links

Links to other databases for 5-thio-2-nitrobenzoate

ChEBI
PubChem
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PubChem