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Literature summary for 2.4.1.129 extracted from

  • Wang, Y.; Cheong, W.L.; Liang, Z.; So, L.Y.; Chan, K.F.; So, P.K.; Chen, Y.W.; Wong, W.L.; Wong, K.Y.
    Hydrophobic substituents on isatin derivatives enhance their inhibition against bacterial peptidoglycan glycosyltransferase activity (2020), Bioorg. Chem., 97, 103710 .
    View publication on PubMed
Search for more literature for 2.4.1.129

Application

Application Comment Organism
drug development peptidoglycan glycosyltransferase (PGT) is regarded as a potential drug target for development of antibiotics Escherichia coli

Cloned(Commentary)

Cloned (Comment) Organism
gene mrcB, recombinant expression of His6-tagged PBP1b (residues 58-604) in Escherichia coli Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
(E)-2-(1-(2-isobutoxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(3-hydroxypropyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(ethoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(hydroxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(methoxymethoxy)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(methoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(sec-butyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-(tert-butoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-butylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide binding structure, modeling Escherichia coli
(E)-2-(1-(4-ethoxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-ethylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-hexylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(4-octylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(naphthalen-1-yl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(1-(naphthalen-2-yl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
 Escherichia coli
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-2-oxoindolin-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
-
 Escherichia coli
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-2-oxoindolin-1-yl)-N-(3-ethylphenyl)acetamide
-
 Escherichia coli
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-2-oxoindolin-1-yl)-N-(naphthalen-2-yl)acetamide
-
 Escherichia coli
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-5-methyl-2-oxoindolin-1-yl)-N-(3-nitrophenyl)acetamide
-
 Escherichia coli
isatin
-
 Escherichia coli
moenomycin A natural product inhibitor Escherichia coli
additional information hydrophobic substituents on isatin derivatives enhance their inhibition against bacterial peptidoglycan glycosyltransferase activity. 20 amphiphilic compounds are systematically designed and the relationship between molecular hydrophobicity and the antibacterial activity by targeting at PGT is demonstrated, inhibitor synthesis, antimicrobial activity and MIC values, and structure-activity relationships, overview. Docking study and molecular modeling using the structure of Escherichia coli PBP1b, PBP ID 3VMA, as template. Diffusion to the PGT target is hindered by the inefficiency to pass through the periplasmic region of the Gram-negative bacteria Escherichia coli
Vancomycin
-
 Escherichia coli

Localization

Localization Comment Organism GeneOntology No. Textmining
membrane the PGT domain of penicillin-binding protein is anchored on the outer surface of the bacterial cell membrane by a transmembrane helix Escherichia coli 16020
-

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol + GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol Escherichia coli
-
 [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n+1-diphosphoundecaprenol + undecaprenyl diphosphate
-
 ?

Organism

Organism UniProt Comment Textmining
Escherichia coli P02919
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol + GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol
-
 Escherichia coli [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n+1-diphosphoundecaprenol + undecaprenyl diphosphate
-
 ?

Synonyms

Synonyms Comment Organism
mrcB
-
 Escherichia coli
PBP-1B
-
 Escherichia coli
PBP1b
-
 Escherichia coli
penicillin-binding protein 1B
-
 Escherichia coli
PGT
-
 Escherichia coli

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00101
-
 pH and temperature not specified in the publication, recombinant enzyme Escherichia coli Vancomycin
0.0124
-
 pH and temperature not specified in the publication, recombinant enzyme Escherichia coli (E)-2-(1-(4-octylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
0.0828
-
 pH and temperature not specified in the publication, recombinant enzyme Escherichia coli (E)-2-(1-(4-butylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
0.125
-
 pH and temperature not specified in the publication, recombinant enzyme Escherichia coli (E)-2-(1-(4-ethylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
0.203
-
 pH and temperature not specified in the publication, recombinant enzyme Escherichia coli (E)-2-(1-(4-ethoxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
2.156
-
 pH and temperature not specified in the publication, recombinant enzyme Escherichia coli (E)-2-(1-(4-(methoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide

General Information

General Information Comment Organism
physiological function peptidoglycan glycosyltransferase (PGT) transfers the disaccharide-peptide of lipid II to the growing glycan chain in bacterial cell wall synthesis Escherichia coli