BRENDA - Enzyme Database show

A high-throughput screen against pantothenate synthetase (PanC) identifies 3-biphenyl-4-cyanopyrrole-2-carboxylic acids as a new class of inhibitor with activity against Mycobacterium tuberculosis

Kumar, A.; Casey, A.; Odingo, J.; Kesicki, E.A.; Abrahams, G.; Vieth, M.; Masquelin, T.; Mizrahi, V.; Hipskind, P.A.; Sherman, D.R.; Parish, T.; PLoS ONE 8, e72786 (2013)

Data extracted from this reference:

Cloned(Commentary)
EC Number
Commentary
Organism
6.3.2.1
gene panC, expression of His6-tagged maltose-binding protein fusion enzyme in Escherichia coli strain BL21(DE3)
Mycobacterium tuberculosis
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
6.3.2.1
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
Mycobacterium tuberculosis
6.3.2.1
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
-
Mycobacterium tuberculosis
6.3.2.1
additional information
evaluation of 3-biphenyl-4-cyanopyrrole-2-carboxylic acids as enzyme inhibitors, overview
Mycobacterium tuberculosis
6.3.2.1
nafronyl oxalate
-
Mycobacterium tuberculosis
Metals/Ions
EC Number
Metals/Ions
Commentary
Organism
Structure
6.3.2.1
Mg2+
required
Mycobacterium tuberculosis
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
6.3.2.1
ATP + (R)-pantoate + beta-alanine
Mycobacterium tuberculosis
-
AMP + diphosphate + (R)-pantothenate
-
-
?
6.3.2.1
ATP + (R)-pantoate + beta-alanine
Mycobacterium tuberculosis H37Rv
-
AMP + diphosphate + (R)-pantothenate
-
-
?
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
6.3.2.1
Mycobacterium tuberculosis
P9WIL5
gene panC, locus Rv3602c
-
6.3.2.1
Mycobacterium tuberculosis H37Rv
P9WIL5
gene panC, locus Rv3602c
-
Purification (Commentary)
EC Number
Commentary
Organism
6.3.2.1
recombinant His6-tagged maltose-binding protein fusion enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and gel filtration to homogeneity
Mycobacterium tuberculosis
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
6.3.2.1
ATP + (R)-pantoate + beta-alanine
-
728622
Mycobacterium tuberculosis
AMP + diphosphate + (R)-pantothenate
-
-
-
?
6.3.2.1
ATP + (R)-pantoate + beta-alanine
-
728622
Mycobacterium tuberculosis H37Rv
AMP + diphosphate + (R)-pantothenate
-
-
-
?
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
6.3.2.1
ATP
-
Mycobacterium tuberculosis
Ki Value [mM]
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
6.3.2.1
0.000174
-
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
versus pantoate, pH 7.8, 37C
Mycobacterium tuberculosis
6.3.2.1
0.000297
-
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
versus pantoate, pH 7.8, 37C
Mycobacterium tuberculosis
Cloned(Commentary) (protein specific)
EC Number
Commentary
Organism
6.3.2.1
gene panC, expression of His6-tagged maltose-binding protein fusion enzyme in Escherichia coli strain BL21(DE3)
Mycobacterium tuberculosis
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
6.3.2.1
ATP
-
Mycobacterium tuberculosis
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
6.3.2.1
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
Mycobacterium tuberculosis
6.3.2.1
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
-
Mycobacterium tuberculosis
6.3.2.1
additional information
evaluation of 3-biphenyl-4-cyanopyrrole-2-carboxylic acids as enzyme inhibitors, overview
Mycobacterium tuberculosis
6.3.2.1
nafronyl oxalate
-
Mycobacterium tuberculosis
Ki Value [mM] (protein specific)
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
6.3.2.1
0.000174
-
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
versus pantoate, pH 7.8, 37C
Mycobacterium tuberculosis
6.3.2.1
0.000297
-
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
versus pantoate, pH 7.8, 37C
Mycobacterium tuberculosis
Metals/Ions (protein specific)
EC Number
Metals/Ions
Commentary
Organism
Structure
6.3.2.1
Mg2+
required
Mycobacterium tuberculosis
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
6.3.2.1
ATP + (R)-pantoate + beta-alanine
Mycobacterium tuberculosis
-
AMP + diphosphate + (R)-pantothenate
-
-
?
6.3.2.1
ATP + (R)-pantoate + beta-alanine
Mycobacterium tuberculosis H37Rv
-
AMP + diphosphate + (R)-pantothenate
-
-
?
Purification (Commentary) (protein specific)
EC Number
Commentary
Organism
6.3.2.1
recombinant His6-tagged maltose-binding protein fusion enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and gel filtration to homogeneity
Mycobacterium tuberculosis
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
6.3.2.1
ATP + (R)-pantoate + beta-alanine
-
728622
Mycobacterium tuberculosis
AMP + diphosphate + (R)-pantothenate
-
-
-
?
6.3.2.1
ATP + (R)-pantoate + beta-alanine
-
728622
Mycobacterium tuberculosis H37Rv
AMP + diphosphate + (R)-pantothenate
-
-
-
?