Literature summary for 2.5.1.47 extracted from

Spyrakis, F.; Singh, R.; Cozzini, P.; Campanini, B.; Salsi, E.; Felici, P.; Raboni, S.; Benedetti, P.; Cruciani, G.; Kellogg, G.E.; Cook, P.F.; Mozzarelli, A.
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target (2013), PLoS ONE, 8, e77558.

Inhibitors

Inhibitors	Comment	Organism
(2E)-3-chloropent-2-enedioic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
1-ethyl-4-nitro-1H-pyrazole-5-carboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
2,2'-(1,2,4-thiadiazole-3,5-diyldisulfanediyl)diacetic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
2,2'-(5-ethyl-5-nitrodihydropyrimidine-1,3(2H,4H)-diyl)diacetic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
2-phenylbutanedioic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3-nitrobenzoic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
3,3'-[(phenylsulfonyl)imino]dipropanoic acid (non-preferred name)	-	Salmonella enterica subsp. enterica serovar Typhimurium
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
4-(methylsulfinyl)-2-[(phenylsulfonyl)amino]butanoic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
6-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-5,6-dicarboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
6-methyl-7-oxo-6-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
6-[(pyridin-4-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
additional information	identification of potential inhibitors of the two isozymes A and B via a ligand- and structure-based in silico screening of a subset of the ZINC library using FLAP. The binding affinities of the most promising candidates are measured in vitro on purified O-acetylserine sulfhydrylase-A and O-acetylserine sulfhydrylase-B by a direct method that exploits the change in the cofactor fluorescence, ligand binding analysis, overview; identification of potential inhibitors of the two isozymes A and B via a ligand- and structure-based in silico screening of a subset of the ZINC library using FLAP. The binding affinities of the most promising candidates are measured in vitro on purified O-acetylserine sulfhydrylase-A and O-acetylserine sulfhydrylase-B by a direct method that exploits the change in the cofactor fluorescence, ligand binding analysis, overview	Salmonella enterica subsp. enterica serovar Typhimurium
N-(furan-2-ylcarbonyl)leucine	-	Salmonella enterica subsp. enterica serovar Typhimurium
N-(furan-2-ylcarbonyl)phenylalanine	-	Salmonella enterica subsp. enterica serovar Typhimurium
N-(thiophen-2-ylsulfonyl)valine	-	Salmonella enterica subsp. enterica serovar Typhimurium
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]glutamic acid	-	Salmonella enterica subsp. enterica serovar Typhimurium
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]leucine	-	Salmonella enterica subsp. enterica serovar Typhimurium
N-[(3-carboxybicyclo[2.2.1]hept-5-en-2-yl)carbonyl]glycylglycine	-	Salmonella enterica subsp. enterica serovar Typhimurium
[2-[3-acetyl-1-(2,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl](hydroxy)oxoammonium	-	Salmonella enterica subsp. enterica serovar Typhimurium
[3-[(2-carboxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]-1-methyl-1H-pyrazol-4-yl](hydroxy)oxoammonium	-	Salmonella enterica subsp. enterica serovar Typhimurium
[3-[(2-carboxypiperidin-1-yl)sulfonyl]phenyl](hydroxy)oxoammonium	-	Salmonella enterica subsp. enterica serovar Typhimurium

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
O-acetyl-L-serine + hydrogen sulfide	Salmonella enterica subsp. enterica serovar Typhimurium	-	L-cysteine + acetate	-	?

Organism

Organism	UniProt	Comment	Textmining
Salmonella enterica subsp. enterica serovar Typhimurium	P0A1E3	-	-
Salmonella enterica subsp. enterica serovar Typhimurium	P29848	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
O-acetyl-L-serine + hydrogen sulfide	-	Salmonella enterica subsp. enterica serovar Typhimurium	L-cysteine + acetate	-	?

Synonyms

Synonyms	Comment	Organism
cysteine synthase A	UniProt	Salmonella enterica subsp. enterica serovar Typhimurium
cysteine synthase B	UniProt	Salmonella enterica subsp. enterica serovar Typhimurium
O-acetylserine sulfhydrylase	-	Salmonella enterica subsp. enterica serovar Typhimurium
O-acetylserine sulfhydrylase-A	-	Salmonella enterica subsp. enterica serovar Typhimurium
O-acetylserine sulfhydrylase-B	-	Salmonella enterica subsp. enterica serovar Typhimurium

General Information

General Information	Comment	Organism
physiological function	O-acetylserine sulfhydrylase plays a key role in the adaptation of bacteria to the host environment, in the defense mechanisms to oxidative stress and in antibiotic resistance	Salmonella enterica subsp. enterica serovar Typhimurium