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Literature summary for 6.2.1.3 extracted from

  • Lu, X.; Zhang, H.; Tonge, P.J.; Tan, D.S.
    Mechanism-based inhibitors of MenE, an acyl-CoA synthetase involved in bacterial menaquinone biosynthesis (2008), Bioorg. Med. Chem. Lett., 18, 5963-5966.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
menE, expression of N-terminally His-tagged enzyme in Escherichia coli strain BL21(DE3) Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
5'-deoxy-5'-[([(1E)-5-[2-(methoxycarbonyl)phenyl]-5-oxopent-1-en-1-yl]sulfonyl)amino]adenosine mechanism of covalent inhibition Mycobacterium tuberculosis
5'-deoxy-5'-[([(1E)-5-[2-(methoxycarbonyl)phenyl]hexa-1,5-dien-1-yl]sulfonyl)amino]adenosine mechanism of covalent inhibition Mycobacterium tuberculosis
5'-deoxy-5'-[([4-[2-(methoxycarbonyl)phenyl]-4-oxobutanoyl]sulfamoyl)amino]adenosine mechanism of covalent inhibition Mycobacterium tuberculosis
5'-deoxy-5'-[([4-[2-(methoxycarbonyl)phenyl]pent-4-enoyl]sulfamoyl)amino]adenosine mechanism of covalent inhibition Mycobacterium tuberculosis
5'-O-([4-[2-(methoxycarbonyl)phenyl]-4-oxobutanoyl]sulfamoyl)adenosine mechanism of covalent inhibition Mycobacterium tuberculosis
5'-O-([4-[2-(methoxycarbonyl)phenyl]pent-4-enoyl]sulfamoyl)adenosine mechanism of covalent inhibition Mycobacterium tuberculosis
additional information design and construction of mechanism-based inhibitors of MenE Mycobacterium tuberculosis

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+
-
Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + o-succinyl-1-benzoate + CoA Mycobacterium tuberculosis a step in the bacterial biosynthesis of menaquinone from chorismate, pathway overview AMP + diphosphate + o-succinyl-1-benzoyl-CoA
-
?
additional information Mycobacterium tuberculosis the acyl-CoA synthetase is involved in bacterial menaquinone biosynthesis ?
-
?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis
-
-
-

Purification (Commentary)

Purification (Comment) Organism
recombinant N-terminally His-tagged enzyme from Escherichia coli strain BL21(DE3) by metal affinity chromatography Mycobacterium tuberculosis

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + o-succinyl-1-benzoate + CoA a step in the bacterial biosynthesis of menaquinone from chorismate, pathway overview Mycobacterium tuberculosis AMP + diphosphate + o-succinyl-1-benzoyl-CoA
-
?
ATP + o-succinyl-1-benzoate + CoA a two-step reaction via o-succinyl-1-benzoyl-AMP intermediate Mycobacterium tuberculosis AMP + diphosphate + o-succinyl-1-benzoyl-CoA
-
?
additional information the acyl-CoA synthetase is involved in bacterial menaquinone biosynthesis Mycobacterium tuberculosis ?
-
?

Synonyms

Synonyms Comment Organism
Acyl-CoA synthetase
-
Mycobacterium tuberculosis
MenE
-
Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
ATP
-
Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0057
-
-
Mycobacterium tuberculosis 5'-deoxy-5'-[([(1E)-5-[2-(methoxycarbonyl)phenyl]-5-oxopent-1-en-1-yl]sulfonyl)amino]adenosine
0.034
-
-
Mycobacterium tuberculosis 5'-deoxy-5'-[([4-[2-(methoxycarbonyl)phenyl]-4-oxobutanoyl]sulfamoyl)amino]adenosine
0.038
-
-
Mycobacterium tuberculosis 5'-O-([4-[2-(methoxycarbonyl)phenyl]-4-oxobutanoyl]sulfamoyl)adenosine
0.2
-
above Mycobacterium tuberculosis 5'-deoxy-5'-[([(1E)-5-[2-(methoxycarbonyl)phenyl]hexa-1,5-dien-1-yl]sulfonyl)amino]adenosine
0.2
-
above Mycobacterium tuberculosis 5'-deoxy-5'-[([4-[2-(methoxycarbonyl)phenyl]pent-4-enoyl]sulfamoyl)amino]adenosine
0.2
-
above Mycobacterium tuberculosis 5'-O-([4-[2-(methoxycarbonyl)phenyl]pent-4-enoyl]sulfamoyl)adenosine