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Literature summary for 2.7.3.9 extracted from

  • Huang, K.J.; Lin, S.H.; Lin, M.R.; Ku, H.; Szkaradek, N.; Marona, H.; Hsu, A.; Shiuan, D.
    Xanthone derivatives could be potential antibiotics: virtual screening for the inhibitors of enzyme I of bacterial phosphoenolpyruvate-dependent phosphotransferase system (2013), J. Antibiot., 66, 453-458.
    View publication on PubMed

Application

Application Comment Organism
drug development enzyme I, EI, of the phosphoenolpyruvate phosphotransferase system isa drug target to develop antimicrobial agents, xanthone derivatives have high potential to be developed as antibiotics Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
(4,5,6-triacetyloxy-9-oxoxanthen-3-yl)acetate
-
Escherichia coli
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
-
Escherichia coli
1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
-
Escherichia coli
1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
-
Escherichia coli
1,3-bis(2-oxopropoxy)-9H-xanthen-9-one
-
Escherichia coli
1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
-
Escherichia coli
2,7-bis(2-aminoethoxy)xanthen-9-one
-
Escherichia coli
2,8-dihydroxy-1,6-dimethoxyxanthen-9-one
-
Escherichia coli
2-[3-(prop-2-enylamino)propoxy]xanthen-9-one
-
Escherichia coli
5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
-
Escherichia coli
6-chloro-2-(methylaminomethyl)xanthen-9-one
-
Escherichia coli
methyl 2-((3-[(1-methoxy-1-oxopropan-2-yl)oxy]-9-oxo-9H-xanthen-1-yl)oxy)propanoate
-
Escherichia coli
methyl 4-([(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl)benzoate
-
Escherichia coli
additional information enzyme-inhibitor molecular docking of the ligand molecule, xanthone derivative ZINC14764604 or (4,5,6-triacetyloxy-9-oxoxanthen-3-yl)acetate, with the EI-HPr (histidine-containing phosphoryl carrier protein) complex, PDB ID 3EZA, and structure modelling, overview. Residues His189 of EI and His15 of HPr are involved in binding Escherichia coli
propan-2-yl,2-((9-oxo-3-[2-oxo-2-(propan-2-yloxy)ethoxy]-9H-xanthen-1-yl)oxy)acetate
-
Escherichia coli

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
63500
-
-
Escherichia coli

Organism

Organism UniProt Comment Textmining
Escherichia coli
-
-
-

Subunits

Subunits Comment Organism
monomer or dimer x * 63500, enzyme I, EI, the monomer undergoes a monomer/dimer transition and only the dimer form accepts the phosphoryl group from phosphoenolpyruvate. The crystal structure of EI, PDB ID 1ZYM, reveals a dimeric protein in which each subunit comprises three domains: a domain that binds the partner HPr, a domain that carries the phosphorylated histidine residue, and a PEP-binding domain Escherichia coli

Synonyms

Synonyms Comment Organism
phosphoenolpyruvate-dependent phosphotransferase
-
Escherichia coli

General Information

General Information Comment Organism
evolution the phosphoenolpyruvate phosphotransferase system (PTS) is ubiquitous in eubacteria and absent from eukaryotes Escherichia coli
malfunction deficiency of enzyme I, EI, of the phosphoenolpyruvate phosphotransferase system in bacterial mutants lead to severe growth defects Escherichia coli
metabolism the phosphoenolpyruvate phosphotransferase system consists of two phosphoryl carriers, enzyme I (EI) and the histidine-containing phosphoryl carrier protein (HPr), and several PTS transporters, catalyzing the concomitant uptake and phosphorylation of several carbohydrates Escherichia coli