Literature summary for 6.3.2.1 extracted from

Hung, A.W.; Silvestre, H.L.; Wen, S.; George, G.P.; Boland, J.; Blundell, T.L.; Ciulli, A.; Abell, C.
Optimization of inhibitors of Mycobacterium tuberculosis pantothenate synthetase based on group efficiency analysis (2016), ChemMedChem, 11, 38-42 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
(2-[[(1-benzofuran-2-carbonyl)amino]methyl]-5-methoxy-1H-indol-1-yl)acetic acid	-	Mycobacterium tuberculosis
(2-[[(1-benzofuran-2-sulfonyl)amino]methyl]-5-methoxy-1H-indol-1-yl)acetic acid	-	Mycobacterium tuberculosis
(2-[[(1-benzofuran-2-yl)methoxy]carbonyl]-5-methoxy-1H-indol-1-yl)acetic acid	-	Mycobacterium tuberculosis
(5-methoxy-2-[[2-nitro-4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid	-	Mycobacterium tuberculosis
(5-methoxy-2-[[4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid	-	Mycobacterium tuberculosis
additional information	construction of inhibitor molecules with optimized binding efficiencies, the stepwise growing of an indole fragment leads to the generation of a lead compound, analysis of the binding kinetics of the compounds, overview	Mycobacterium tuberculosis
[2-[(1-benzofuran-2-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[2-[(4-acetamidobenzene-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[2-[(4-acetylpiperazine-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[2-[(4-tert-butylbenzene-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[2-[(5-acetamido-1,3,4-thiadiazole-2-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[5-methoxy-2-[(4-methoxybenzene-1-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[5-methoxy-2-[(4-methylbenzene-1-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[5-methoxy-2-[(5-methylpyridine-2-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[5-methoxy-2-[(morpholine-4-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis
[5-methoxy-2-[(naphthalene-2-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid	-	Mycobacterium tuberculosis

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	required	Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
ATP + (R)-pantoate + beta-alanine	Mycobacterium tuberculosis	-	AMP + diphosphate + (R)-pantothenate	-	?
ATP + (R)-pantoate + beta-alanine	Mycobacterium tuberculosis ATCC 25618 / H37Rv	-	AMP + diphosphate + (R)-pantothenate	-	?

Organism

Organism	UniProt	Comment	Textmining
Mycobacterium tuberculosis	P9WIL5	-	-
Mycobacterium tuberculosis ATCC 25618 / H37Rv	P9WIL5	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
ATP + (R)-pantoate + beta-alanine	-	Mycobacterium tuberculosis	AMP + diphosphate + (R)-pantothenate	-	?
ATP + (R)-pantoate + beta-alanine	-	Mycobacterium tuberculosis ATCC 25618 / H37Rv	AMP + diphosphate + (R)-pantothenate	-	?

Synonyms

Synonyms	Comment	Organism
PanC	-	Mycobacterium tuberculosis
Pantothenate synthetase	-	Mycobacterium tuberculosis

Cofactor

Cofactor	Comment	Organism	Structure
ATP	-	Mycobacterium tuberculosis

General Information

General Information	Comment	Organism
physiological function	pantothenate synthetase catalyzes the ATP-dependent formation of an amide bond between pantoate and beta-alanine	Mycobacterium tuberculosis

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Release 2023.1 (January 2023)