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Literature summary for 2.4.1.227 extracted from

  • Ezhilarasan, V.; Sharma, O.; Pan, A.
    In silico identification of potential drug targets in Clostridium difficile R20291: modeling and virtual screening analysis of a candidate enzyme MurG (2012), Med. Chem. Res., 22, 2692-2705.
No PubMed abstract available
Search for more literature for 2.4.1.227

Application

Application Comment Organism
drug development MurG is a target for drug development to treat diseases caused by Clostridium difficile, an etiologic agent of a variety of gastrointestinal diseases in humans including mild sporadic diarrhea and severe life-threatening pseudomembranous colitis Clostridioides difficile

Inhibitors

Inhibitors Comment Organism Structure
(1R,3R,3aS,6aR)-1-{[2-({[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl] methyl}amino)-2-oxoethyl]carbamoyl}-3-(2-methoxyphenyl)-1-methyl-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrol-2-ium
-
 Clostridioides difficile
(4R,4aR,5aS,6R,12aS)-4-(dimethylamino)-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-3,4,4a,5,5a,6,11,12a- octahydrotetracene-2-carboxamide
-
 Clostridioides difficile
({2-[3-(4-methoxybenzyl)-6-(methoxycarbonyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-2-oxoethyl}sulfanyl)acetic acid
-
 Clostridioides difficile
2-(carboxyethynyl)-3,4-dihydroxybenzoic acid
-
 Clostridioides difficile
2-(phosphonooxy)butanoic acid
-
 Clostridioides difficile
4-{[(1S,11aS)-5,11-dioxo-7-phenyl-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]amino}-4-oxobutanoic acid
-
 Clostridioides difficile
5'-deoxy-5'-[(N-{[(2R,3R,4R,5R)-3-(methoxycarbonyl)-5-(2-methoxyphenyl)-2,4-dimethylpyrrolidinium-2-yl]carbonyl}glycyl) amino]uridine
-
 Clostridioides difficile
additional information inhibitor binding mode, molecular modeling, overview Clostridioides difficile
N-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid
-
 Clostridioides difficile
[1-hydroxy-2-(pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
-
 Clostridioides difficile

Organism

Organism UniProt Comment Textmining
Clostridioides difficile
-
-
-
Clostridioides difficile R20291
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-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information sMurG uses UDP-N-acetylglucosamine as substrate Clostridioides difficile ?
-
 ?
additional information sMurG uses UDP-N-acetylglucosamine as substrate Clostridioides difficile R20291 ?
-
 ?

Subunits

Subunits Comment Organism
More structure comparison with the enzyme from Escherichia coli, molecular modeling and structure validation, overview Clostridioides difficile

Synonyms

Synonyms Comment Organism
MurG
-
 Clostridioides difficile

General Information

General Information Comment Organism
additional information the active site residue Gln298 plays a critical role in ligand-target interactions, other active site residues like Arg168, Ser198, Arg202, Ser269, and His297 also play roles in binding interactions, docking study, and molecular modeling and structure validation, overview Clostridioides difficile