Information on EC 6.3.2.1 - pantoate-beta-alanine ligase (AMP-forming)

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The expected taxonomic range for this enzyme is: Eukaryota, Bacteria

EC NUMBER
COMMENTARY hide
6.3.2.1
-
RECOMMENDED NAME
GeneOntology No.
pantoate-beta-alanine ligase (AMP-forming)
REACTION
REACTION DIAGRAM
COMMENTARY hide
ORGANISM
UNIPROT
LITERATURE
ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate
show the reaction diagram
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
carboxamide formation
-
-
-
-
carboxylic acid amide formation
-
-
-
-
additional information
-
pantothenate synthetase catalyzes the formation of a pantoyl-adenylate intermediate upon the ordered addition of ATP and pantoate
PATHWAY
BRENDA Link
KEGG Link
MetaCyc Link
beta-Alanine metabolism
-
-
Biosynthesis of secondary metabolites
-
-
Metabolic pathways
-
-
Pantothenate and CoA biosynthesis
-
-
pantothenate biosynthesis
-
-
phosphopantothenate biosynthesis I
-
-
SYSTEMATIC NAME
IUBMB Comments
(R)-pantoate:beta-alanine ligase (AMP-forming)
-
CAS REGISTRY NUMBER
COMMENTARY hide
9023-49-8
-
ORGANISM
COMMENTARY hide
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
strain 19
-
-
Manually annotated by BRENDA team
strain 19
-
-
Manually annotated by BRENDA team
f. sp. lycopersici
SwissProt
Manually annotated by BRENDA team
-
SwissProt
Manually annotated by BRENDA team
-
SwissProt
Manually annotated by BRENDA team
SUBSTRATE
PRODUCT                       
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
ATP + (R)-pantoate + beta-alanine
?
show the reaction diagram
-
formation of pantothenic acid, an important member of the B vitamins
-
-
-
ATP + (R)-pantoate + beta-alanine
AMP + diphosphate + (R)-pantothenate
show the reaction diagram
CTP + (R)-pantoate + beta-alanine
CMP + diphosphate + (R)-pantothenate
show the reaction diagram
-
14% of the activity relative to ATP
-
-
-
GTP + (R)-pantoate + beta-alanine
GMP + diphosphate + (R)-pantothenate
show the reaction diagram
-
12% of the activity relative to ATP
-
-
-
ITP + (R)-pantoate + beta-alanine
IMP + diphosphate + (R)-pantothenate
show the reaction diagram
-
14% of the activity relative to ATP
-
-
-
UTP + (R)-pantoate + beta-alanine
UMP + diphosphate + (R)-pantothenate
show the reaction diagram
-
16% of the activity relative to ATP
-
-
-
additional information
?
-
pantothenate synthetase is essential but not limiting for pantothenate biosynthesis in Arabidopsis thaliana, pantothenate, i.e. vitamin B5, is the universal precursor for coenzyme A, overview
-
-
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
ATP + (R)-pantoate + beta-alanine
?
show the reaction diagram
-
formation of pantothenic acid, an important member of the B vitamins
-
-
-
ATP + (R)-pantoate + beta-alanine
AMP + diphosphate + (R)-pantothenate
show the reaction diagram
additional information
?
-
Q9FKB3
pantothenate synthetase is essential but not limiting for pantothenate biosynthesis in Arabidopsis thaliana, pantothenate, i.e. vitamin B5, is the universal precursor for coenzyme A, overview
-
-
-
COFACTOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
Co2+
-
maximal activity at 10 mM, slight activation
Ni2+
-
maximal activity at approx. 3 mM, slight activation
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(2RS)-5'-O-(2-hydroxy-4-methoxybutyrylsulfamoyl)adenosine
-
-
(2RS)-5'-O-(3,3-dimethyl-2-aminobutyrylsulfamoyl)adenosine
-
-
(2RS)-5'-O-(3,3-dimethyl-2-hydroxy-4-methoxybutyrylsulfamoyl)adenosine
-
-
(2RS)-5'-O-(3,3-dimethyl-2-hydroxybutyrylsulfamoyl)adenosine
-
-
(2RS)-5'-O-(3,3-dimethyl-2-oxobutyrylsulfamoyl)adenosine
-
-
(2RS)-adenosyl-2-hydroxy-3,3-dimethylbuyrate
-
-
(2RS)-adenosyl-2-hydroxy-4-methoxybutyrate
-
-
(2RS)-adenosyl-3,3-dimethyl-2-hydroxy-4-methoxybutyrate
-
-
(2S)-adenosyl-2-L-amino-3,3-dimethylbutanoate
-
-
(5-(4-fluorophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)(phenyl)methanone
-
77.0% inhibition at 0.1 mM
(5-(4-nitrophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1Hpyrazolo[4,3-c]pyridin-1-yl)(phenyl)methanone
-
39.7% inhibition at 0.1 mM
(R)-pantoate
-
substrate inhibition
1,10-phenanthroline
-
-
1-(4-(1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridin-5(4H)-ylsulfonyl)phenyl)ethanone
-
39.2% inhibition at 0.1 mM
1-(4-(1-benzoyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-ylsulfonyl)phenyl)ethanone
-
78.5% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
50.5% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
40.8% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
48.5% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-fluorophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
49.2% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
50.6% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
38.7% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
47.3% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(naphthalen-1-yl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
50.9% inhibition at 0.1 mM
1-(yclohexanecarbonyl)-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
50.8% inhibition at 0.1 mM
1-benzofuran-2-carboxylic acid
-
competitive with respect to both ATP and pantoate
1-benzoyl-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
23.9% inhibition at 0.1 mM
1-benzoyl-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
49.4% inhibition at 0.1 mM
1-benzoyl-N-(4-bromophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
60.6% inhibition at 0.1 mM
1-benzoyl-N-(4-chlorophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
37.7% inhibition at 0.1 mM
1-benzoyl-N-(4-chlorophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
40.2% inhibition at 0.1 mM
1-benzoyl-N-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c] pyridine-5(4H)-carboxamide
-
47.2% inhibition at 0.1 mM
1-benzoyl-N-(4-fluorophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
43.5% inhibition at 0.1 mM
1-benzoyl-N-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
10.2% inhibition at 0.1 mM
1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
95.7% inhibition at 0.1 mM
1-benzoyl-N-(naphthalen-1-yl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
89.8% inhibition at 0.1 mM
1-benzoyl-N-benzyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
52.1% inhibition at 0.1 mM
1-benzoyl-N-benzyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
46.2% inhibition at 0.1 mM
1-benzoyl-N-isopropyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
40.9% inhibition at 0.1 mM
2,3-Diaminopropanoate
-
slight
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylcarbamothioyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
2-hydroxybutanoate
-
slight
2-Hydroxypropanoate
-
slight
2-methyl-5-methoxyindole
-
binding mode with the 2-CH3 group facing the pantoate pocket
3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester
-
-
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
-
3-hydroxybutanoate
-
slight
3-hydroxypropanoate
-
slight
4-(2-{3-[(1E,3E)-hexa-1,3,5-trien-1-yl]phenyl}hydrazinyl)-4-oxobutanoic acid
-
27% inhibition
4-Amino-3-hydroxybutanoate
4-aminobutanoate
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
-
-
4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoic acid
-
0.1 mM, 99% inhibition
5-Aminopentanoate
5-methoxyindole
-
competitive with respect to ATP
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid
-
0.1 mM, 12% inhibition
5-tert-butyl-N-(1-[4-[(2-phenylethyl)carbamoyl]benzyl]-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 78% inhibition
5-tert-butyl-N-1H-pyrazol-4-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 43% inhibition
5-tert-butyl-N-pyrazol-4-yl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide derivatives
-
silico molecular design, synthesis, and inhibitory activity, overview
5-tert-butyl-N-[1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 17% inhibition
5-tert-butyl-N-[1-(2,4-difluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 100% inhibition
5-tert-butyl-N-[1-(2-iodobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 84% inhibition
5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 89% inhibition
5-tert-butyl-N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 98% inhibition
5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 98% inhibition
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
-
-
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 97% inhibition
5-tert-butyl-N-[4-carbamoyl-3-(4-methoxybenzyl)isoxazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 79% inhibition
6-(4-acetylphenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-acetylphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-bromophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-bromophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-chlorophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-chlorophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-fluorophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-fluorophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-methoxyphenylsulfonyl)-2-(5-nitrofuran-2-arboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
-
6-(4-methoxyphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-nitrophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-nitrophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-nitrophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(4-nitrophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(benzylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(benzylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(benzylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-(benzylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
6-Aminohexanoate
-
slight
anserine
-
slight
Asp
-
uncompetitive
aspartate
-
24% inhibition at 1 mM
carnosine
-
slight
cyclohexyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
-
52.0% inhibition at 0.1 mM
cyclohexyl(3-phenyl-5-tosyl-4,5,6,7-tetrahydro-1Hpyrazolo[4,3-c]pyridin-1-yl)methanone
-
41.6% inhibition at 0.1 mM
cyclohexyl(5-(4-fluorophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
-
46.8% inhibition at 0.1 mM
cyclohexyl(5-(4-nitrophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
-
50.2% inhibition at 0.1 mM
cysteine
-
weak
diphosphate
-
-
DTT
-
weak
gluconate
-
32% inhibition at 1 mM
glycolate
-
30% inhibition at 1 mM
iodoacetate
L-cysteate
-
-
Lactate
-
-
mercaptoethanol
-
weak
Mercaptoethanolamine
-
weak
Mercaptopurine
-
weak
methyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
-
0.1 mM, 100% inhibition
methyl 5-amino-3-(benzyloxy)-1H-indole-2-carboxylate
-
-
methyl 6-amino-4-(benzyloxy)-1H-indole-2-carboxylate
-
69% inhibition
methylmalonate
-
38% inhibition at 1 mM
Mg2+
-
inhibition above 10 mM
Mn2+
-
inhibition above 5 mM
N-(1-benzyl-1H-pyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 100% inhibition
N-(2,5-dibromophenyl)-2-hydroxybenzamide
-
-
N-(4-acetylphenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
51.4% inhibition at 0.1 mM
N-(4-acetylphenyl)-1-benzoyl-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c] pyridine-5(4H)-carboxamide
-
43.7% inhibition at 0.1 mM
N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
50.5% inhibition at 0.1 mM
N-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
56.3% inhibition at 0.1 mM
N-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
54.7% inhibition at 0.1 mM
N-allyl-1-benzoyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
41.7% inhibition at 0.1 mM
N-benzyl-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
-
51.4% inhibition at 0.1 mM
N-benzyl-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
-
49.1% inhibition at 0.1 mM
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 18% inhibition
N-[1-(2-bromobenzyl)-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 94% inhibition
N-[1-[4-(benzylcarbamoyl)benzyl]-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 82% inhibition
nafronyl oxalate
pantothenate
-
product inhibition
pantothenic acid
-
-
phenyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
-
48.7% inhibition at 0.1 mM
-
phenyl(3-phenyl-5-tosyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
-
9.0% inhibition at 0.1 mM
Sn2+
-
slight
Sr2+
-
slight
taurine
tert-butyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
-
0.1 mM, 79% inhibition
[2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methyl-1H-inden-1-yl]acetic acid
-
-
additional information
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
additional information
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.41 - 1.45
(R)-pantoate
0.091 - 2.6
ATP
0.04 - 0.98
beta-Alanine
0.063 - 0.13
D-pantoate
0.044 - 50
Pantoate
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.039 - 1.5
(R)-pantoate
1.4
ATP
Escherichia coli
-
25C
0.01 - 3.4
beta-Alanine
3.4
D-pantoate
Mycobacterium tuberculosis
-
25C, pH 7.8
0.62 - 6.08
Pantoate
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.0008
(2RS)-5'-O-(2-hydroxy-4-methoxybutyrylsulfamoyl) adenosine
-
25C
0.065 - 0.25
(2RS)-5'-O-(3,3-dimethyl-2-aminobutyrylsulfamoyl)adenosine
0.03 - 0.144
(2RS)-5'-O-(3,3-dimethyl-2-hydroxy-4-methoxybutyrylsulfamoyl)adenosine
0.0003 - 0.0011
(2RS)-5'-O-(3,3-dimethyl-2-hydroxybutyrylsulfamoyl)adenosine
0.014 - 0.12
(2RS)-5'-O-(3,3-dimethyl-2-oxobutyrylsulfamoyl)adenosine
2.5
(2RS)-adenosyl-2-hydroxy-3,3-dimethylbuyrate
-
25C
3.5
(2RS)-adenosyl-2-hydroxy-4-methoxybutyrate
-
25C
18.2
(2RS)-adenosyl-3,3-dimethyl-2-hydroxy-4-methoxybutyrate
-
25C
9.5
(2S)-adenosyl-2-L-amino-3,3-dimethylbutanoate
-
25C
1.9
3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester
-
25C
0.000174
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
versus pantoate, pH 7.8, 37C
0.000297
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
-
versus pantoate, pH 7.8, 37C
0.00009
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
-
pH and temperature not specified in the publication
0.0224
methyl 5-amino-3-(benzyloxy)-1H-indole-2-carboxylate
-
pH and temperature not specified in the publication
0.075
nafronyl oxalate
-
-
4.5 - 7.6
pantothenate
0.0018
[2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methyl-1H-inden-1-yl]acetic acid
-
pH and temperature not specified in the publication
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.0386
(5-(4-fluorophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)(phenyl)methanone
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.0391
1-(4-(1-benzoyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-ylsulfonyl)phenyl)ethanone
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.0821
1-benzoyl-N-(4-bromophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.0218
1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.0382
1-benzoyl-N-(naphthalen-1-yl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01872
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylcarbamothioyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.025
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
above, pH and temperature not specified in the publication
460
4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoic acid
Mycobacterium tuberculosis
-
-
140
5-tert-butyl-N-(1-[4-[(2-phenylethyl)carbamoyl]benzyl]-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
61000
5-tert-butyl-N-1H-pyrazol-4-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
130
5-tert-butyl-N-[1-(2,4-difluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
160
5-tert-butyl-N-[1-(2-iodobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
120
5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
140
5-tert-butyl-N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
150
5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
90
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
7130
5-tert-butyl-N-[4-carbamoyl-3-(4-methoxybenzyl)isoxazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
0.025
6-(4-acetylphenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
0.01422
6-(4-bromophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01916
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00628
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.025
6-(4-chlorophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
above, pH and temperature not specified in the publication
0.01022
6-(4-chlorophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.02086
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01016
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01756
6-(4-fluorophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01172
6-(4-fluorophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01506
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.0145
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.02033
6-(4-methoxyphenylsulfonyl)-2-(5-nitrofuran-2-arboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
-
0.01905
6-(4-methoxyphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00911
6-(4-nitrophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01979
6-(4-nitrophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00968
6-(4-nitrophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00587
6-(4-nitrophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01702
6-(benzylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01324
6-(benzylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01408
6-(benzylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.01816
6-(benzylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.2507
actinomycin D
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
160
methyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
Mycobacterium tuberculosis
-
-
0.02244
methyl 6-amino-4-(benzyloxy)-1H-indole-2-carboxylate
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
97
N-(1-benzyl-1H-pyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
140
N-[1-(2-bromobenzyl)-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
210
N-[1-[4-(benzylcarbamoyl)benzyl]-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis
-
-
0.3984
nafronyl oxalate
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
250
tert-butyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
Mycobacterium tuberculosis
-
-
SPECIFIC ACTIVITY [µmol/min/mg]
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
7.8
in Tris-HCl
8 - 8.5
-
-
8
in potassium phosphate
pH RANGE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
6 - 9
50% of maximal activity at pH 7.0, 15% of maximal activity at pH 6.0 and pH 9.0 respectively
7.1 - 9
in Tris-HCl, no activity at pH 7.0, 75% of maximal activity at pH 9.0
7.4 - 9.4
-
7.4: about 40% of maximal activity, 9.4: about 80% of maximal activity
8 - 12
-
about 50% of maximal activity at pH 8 and 12
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
TEMPERATURE RANGE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
20 - 50
-
20C: about 60% of maximal activity, 50C, about 25% of maximal activity
30 - 45
-
30C: maximal activity, 37C: 90% of maximal activity, 45C: 60% of maximal activity
SOURCE TISSUE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
SOURCE
transcript and metabolite patterns of CoA biosynthesis during seed development involving the enzyme, overview
Manually annotated by BRENDA team
LOCALIZATION
ORGANISM
UNIPROT
COMMENTARY hide
GeneOntology No.
LITERATURE
SOURCE
PDB
SCOP
CATH
ORGANISM
UNIPROT
Brucella melitensis biotype 1 (strain 16M / ATCC 23456 / NCTC 10094)
Burkholderia thailandensis (strain E264 / ATCC 700388 / DSM 13276 / CIP 106301)
Campylobacter jejuni subsp. jejuni serotype O:2 (strain ATCC 700819 / NCTC 11168)
Campylobacter jejuni subsp. jejuni serotype O:2 (strain ATCC 700819 / NCTC 11168)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Staphylococcus aureus (strain MRSA252)
Staphylococcus aureus (strain NCTC 8325)
Staphylococcus aureus (strain NCTC 8325)
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
69000
-
gel filtration
70000
-
sedimentation equilibrium ultracentrifugation
72800
gel filtration
SUBUNITS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
crystal structures of pantothenate synthetase complexed with diphosphomethylphosphonic acid adenosyl ester and pantoate resolved at 1.6 A and of apo Escherichia coli pantothenate synthetase resolved at 1.70 A are used as the initial structures for the simulations
-
native and selenomethionine labeled PS, hanging drop vapor diffusion, hanging drops are composed of equal volumes of PS and reservoir solutions consisting of 50 mM Tris-HCl, pH 8.0, 4%-6% polyethylene glycol 4000, crystals appeare at 19C after 2-4 days, crystals diffract to 1.7 A
-
tertiary structure of the dimeric N-terminal domain of Escherichia coli pantothenate synthetase, to a resolution of 1.7 A, shows a second molecule of pantoate bound in the ATP-binding pocket. Pantoate binding to the ATP-binding site induces large changes in structure, mainly for backbone and side chain atoms of residues in the ATP binding HXGH(34-37) motif. ATP stoichiometrically displaces pantoate from the ATP-binding site
-
crystal structure of the enzyme complexed with AMP, ATP or beta-alanine
-
crystal structures of pantothenate synthetase complexed with diphosphomethylphosphonic acid adenosyl ester and pantoate resolved at 1.6 A and of apo Escherichia coli pantothenate synthetase resolved at 1.70 A are used as the initial structures for the simulations
-
crystal structures with compounds 5-methoxyindole and 2-carboxybenzofuranoic acid bound in a ternary complex and in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
-
crystals of native PS and PS complexed with alpha,beta-methyleneadenosine 5'-triphosphate, pantoate and the reaction intermediate pantoyl adenylate, crystals are grown by hanging-drop vapor diffusion, 0.003-0.005 ml of PS solution at 10 mg/ml PS is mixed with an equal volume of well solution, best crystals are obtained with well solutions containing 10%-15% polyethylene glycol 3000, 5% glycerol, 2% ethanol, 20 mM MgCl2, 150 mM Li2SO4 and 100 mM imidazole, pH 8.0 at 20C, crystals diffract to 1.6-2.0 A
-
structures of the apoenzyme and the reaction intermediate complex are determined by X-ray crystallography to resolutions of 2.5 A and 1.85 A, respectively. Structural analysis indicate that the apoenzyme adopts an open and relatively mobile structure, while the complex structure is closed and entirely rigid. In the complex structure, pantothenate synthetase and acetate are bound in the active site. Acetate might mimic the substrate beta-alanine. Therefore, the complex structure might represent a catalytic state poised for in-line nucleophilic attack on pantothenate synthetase
pH STABILITY
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
5 - 11
-
15 min, 40C, stable
978
TEMPERATURE STABILITY
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
37
-
pH 5.0-10.0, 15 min stable
60
-
10 min, complete loss of activity
GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
lyophilized enzyme is very stable
-
STORAGE STABILITY
ORGANISM
UNIPROT
LITERATURE
-20C, no loss of activity
-20C, stable for 6 months
-
4C, 4 weeks, 25% loss of activity
Purification/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
fusion protein with cytochrome b5
-
partial
-
recombinant His-tagged enzyme
-
recombinant His6-tagged maltose-binding protein fusion enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and gel filtration to homogeneity
-
recombinant PanC
recombinant pantothenate snthetase
recombinant pantothenate synthetase
using Ni-NTA chromatography
Cloned/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
expressed in Escherichia coli as a His-tagged fusion protein
expression Escherichia coli
expression in Escherichia coli
expression in Escherichia coli as N-terminal His-tagged protein
-
expression in Escherichia coli BL21 as N-terminal His-tagged protein
-
gene panC, expression in Escherichia coli strain BL21(DE3)
-
gene panC, expression of His6-tagged maltose-binding protein fusion enzyme in Escherichia coli strain BL21(DE3)
-
gene panC, recombinant expression as His-tagged enzyme, and expression in and complementation of the Arabidopsis thaliana knockout mutant phenotype by heterologous expression of Escherichia coli PTS, the panC transgene increases the total PTS activity in leaves of trangenic plants by up to 500fold but does not affect the steady-state level of pantothenate, overview
-
overexpression as a fusion protein with cytochrome b5 in Escherichia coli BL21(DE3). The advantages of the cytochrome b5 fusion system are its high expression levels in both rich and minimal medium, high solubility, stability, ease of purification, small size, and characteristic color
-
promoter:beta-glucuronidase analysis
wild-type and mutant enzymes expressed in Escherichia coli BL21
-
ENGINEERING
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
E132A
-
kcat for beta-alanine is 3.7fold higher than wild-type value, kcat for pantoate is 21fold higher than wild-type value
D63G
-
mutation increases the mobility of the gate loop in Escherichia coli pantothenate synthetase
E77G
-
87% of wild-type activity
G74D
-
mutation reduces the mobility of the gate loop in Mycobacterium tuberculosis pantothenate synthetase
H44A
-
greater than 1000fold reduction in enzyme activity
H47A
-
greater than 1000fold reduction in enzyme activity
K160A
-
greater than 1000fold reduction in enzyme activity
K160C
-
activity is markedly enhanced by the alkylation of cysteine with bromoethylamine
N69A
-
greater than 1000fold reduction in enzyme activity
Q164A
-
mutant exhibits 50fold less activity than wild-type enzyme
Q72A
-
greater than 1000fold reduction in enzyme activity
additional information
construction of an uxotrophic AtPTS knockout mutant, phenotype, overview. Complementation of the mutant phenotype by heterologous expression of Escherichia coli PTS gene panC. The panC transgene increases the total PTS activity in leaves by up to 500fold but does not affect the steady-state level of pantothenate. The AtPTS knockout phenotype is rescued by exogenous pantothenate
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