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2.7.7.3: pantetheine-phosphate adenylyltransferase

This is an abbreviated version!
For detailed information about pantetheine-phosphate adenylyltransferase, go to the full flat file.

Word Map on EC 2.7.7.3

Reaction

ATP
+
pantetheine 4'-phosphate
=
diphosphate
 +
3'-dephospho-CoA

Synonyms

3'-dephospho-CoA pyrophosphorylase, 4'-phosphopantetheine adenylyltransferase, 4-phosphopantetheine adenylyltransferase, CoaD, dephospho-CoA pyrophosphorylase, dephospho-coenzyme A pyrophosphorylase, Enterococcus faecalis PPAT, More, pantetheine phosphate adenylyltransferase, phosphopantetheine adenylyltransferase, PPAT

ECTree

     2 Transferases
         2.7 Transferring phosphorus-containing groups
             2.7.7 Nucleotidyltransferases
                2.7.7.3 pantetheine-phosphate adenylyltransferase

Inhibitors

Inhibitors on EC 2.7.7.3 - pantetheine-phosphate adenylyltransferase

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INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(1S,2S)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
(1S,2S)-N-(3-chlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
(2'R)-1-methyl-N4'-[3-(trifluoromethyl)phenyl]-1,2-dihydro-5'H-spiro[indole-3,2'-[1,3,5]triazine]-4',6'-diamine
identified by virtual screening. Compound directly binds and blocks access of substrates to the active site. The trifluoromethyl group of the ligand is oriented inside the protein molecule. One of the nitrogen atoms of the ligand forms contacts with Gly8 and Ser9. The NH2 interacts with the guanidine group of Arg90
(2S)-2-(3-chlorophenyl)-2-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl carbamate
-
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]propanenitrile
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
(3R)-3-(3-chlorophenyl)-3-[(7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amino]-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]propanenitrile
(3R)-3-([7-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)amino]-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl]amino)-3-(3-chlorophenyl)propanenitrile
1-[5-[(2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-2,3-dihydro-1H-indol-1-yl]ethan-1-one
2'-[(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl]-6'-ethyl-4-hydroxy-6-oxo-1,6-dihydro-2,4'-bipyrimidine-5-carboxamide
2-(3,4-dihydroquinoline-1(2H)-carbonyl)-2,4-dihydro-5lambda6-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-5,5(1H)-dione
identified by virtual screening. Compound directly binds and blocks access of substrates to the active site. The nitrogen and oxygen atoms of the sulfamide group of the inhibitor are involved in hydrogen bonding with Pro7 and form polar contacts with the residues Gly88 and Gly8. The nitrogen atom of the triazole ring interacts with the side group of His17
-
2-[(1S)-2-(4-chlorophenyl)cyclopentyl]-1H-benzimidazol-4-ol
-
2-[(2-[(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl]-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid
2-[1-(4-chlorophenyl)pyrrolidin-2-yl]-1H-benzimidazol-4-ol
-
2-[2-(4-chlorophenyl)ethyl]-1H-benzimidazol-4-ol
-
2-[[(1R)-1-(3-chlorophenyl)-3-hydroxypropyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
2-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
3'-dephospho coenzyme A
KD value 0.0032 mM
3'-dephospho-CoA
-
-
3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanamide
-
3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanoic acid
-
3-[(2S)-2-(4-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid
-
3-[(4-fluorophenyl)methyl]-5-[1-[2-(trifluoromethyl)benzene-1-sulfonyl]piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
identified by virtual screening. Compound directly binds and blocks access of substrates to the active site. The triazole and pyrimidine rings of the ligand form polar contacts with the side groups of Ser127, Ser128, and Arg90 and hydrogen bonds with the residues His17 and Val125
3-[3-(2-[(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl]-6-ethylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
3-[4-[(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]phenyl)methyl]-1-(methoxycarbonyl)piperidin-4-yl]propanoic acid
5-(4-hydroxy-1H-benzimidazol-2-yl)-1-methyl-6-phenylpiperidin-2-one
-
6-chloro-1-[(3-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-4lambda6,1,2-benzothiadiazine-4,4(1H)-dione
identified by virtual screening. Compound directly binds and blocks access of substrates to the active site. One of the oxygen atoms of the sulfone group interacts with the main-chain nitrogen atoms of the residues Ser9 and Phe10. There are also polar contacts with His17 and Ser127
acetyl-CoA
adenosine-5'-[(alpha,beta)-methyleno]triphosphate
-
coenzyme A
D-amethopterin
a mixed-type inhibitor of HpPPAT activity, that simultaneously occupies the HpPPAT 4'-phosphopantetheine- and ATP-binding sites, the compound can serve as a lead compound in drug development, steady-state kinetic inhibition assay. Model of HpPPAT complexed with D-amethopterin, overview
deoxycholate
-
inactivation at 0.2%, activation at 0.01%
dephospho-CoA
-
-
diphosphate
-
-
methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
methyl 4-(2-cyanoethyl)-4-[(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]phenyl)methyl]piperidine-1-carboxylate
methyl 4-(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]benzene-1-sulfonyl)piperidine-1-carboxylate
methyl 4-[(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]phenyl)methyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate
methyl 4-[(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]phenyl)methyl]-4-[(Z)-(methoxyimino)methyl]piperidine-1-carboxylate
methyl 4-[(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]phenyl)methyl]-4-[[(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
methyl 4-[(3-[(1R)-2-cyano-1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl]phenyl)sulfanyl]piperidine-1-carboxylate
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine
-
-
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl[1,3]thiazolo[4,5-b]pyridin-2-amine
-
N2-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
-
pantetheine
-
potent inhibitor
phosphopantetheine
-
-
PTX040334
PTX042695
additional information
-