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Literature summary extracted from

  • Khan, A.; Faheem, M.; Danishuddin, M.; Khan, A.U.
    Evaluation of inhibitory action of novel non beta-lactam inhibitor against Klebsiella pneumoniae carbapenemase (KPC-2) (2014), PLoS ONE, 9, e108246.
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
3.5.2.6 drug development ZINC01807204 might be useful as a lead molecule for further optimization and development of more potent non beta-lactam inhibitors against KPC-2 Klebsiella pneumoniae

Cloned(Commentary)

EC Number Cloned (Comment) Organism
3.5.2.6 gene blaKPC-2, recombinant expression of His-tagged enzyme in Escherichia coli strain BL21(DE3) Klebsiella pneumoniae

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.5.2.6 clavulanic acid
-
 Klebsiella pneumoniae
3.5.2.6 additional information poor inhibitory potencies of classic beta-lactamase inhibitors clavulanic acid, tazobactam, and sulbactam, which rather act as substrate with the enzyme. Non beta-lactam inhibitors by structure-based virtual screening of ZINC database. MIC values for cytotoxic effects on Escherichia coli and HeLa cells, overview Klebsiella pneumoniae
3.5.2.6 Sulbactam
-
 Klebsiella pneumoniae
3.5.2.6 tazobactam
-
 Klebsiella pneumoniae
3.5.2.6 ZINC01807204 ZINC01807204 might be useful as a lead molecule for further optimization and development of more potent non beta-lactam inhibitors against KPC-2 Klebsiella pneumoniae
3.5.2.6 ZINC02318494
-
 Klebsiella pneumoniae

Organism

EC Number Organism UniProt Comment Textmining
3.5.2.6 Klebsiella pneumoniae G3GCC6
-
-
3.5.2.6 Klebsiella pneumoniae NP6 G3GCC6
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
3.5.2.6 recombinant His-tagged enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and dialysis Klebsiella pneumoniae

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.5.2.6 clavulanic acid + H2O
-
 Klebsiella pneumoniae (2R,4R,5Z)-2-(carboxymethyl)-5-(2-hydroxyethylidene)-1,3-oxazolidine-4-carboxylic acid
-
 ?
3.5.2.6 clavulanic acid + H2O
-
 Klebsiella pneumoniae NP6 (2R,4R,5Z)-2-(carboxymethyl)-5-(2-hydroxyethylidene)-1,3-oxazolidine-4-carboxylic acid
-
 ?
3.5.2.6 ertapenem + H2O
-
 Klebsiella pneumoniae (4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-([(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
-
 ?
3.5.2.6 ertapenem + H2O
-
 Klebsiella pneumoniae NP6 (4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-([(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
-
 ?
3.5.2.6 imipenem + H2O
-
 Klebsiella pneumoniae (5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-([2-[(iminomethyl)amino]ethyl]sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid
-
 ?
3.5.2.6 imipenem + H2O
-
 Klebsiella pneumoniae NP6 (5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-([2-[(iminomethyl)amino]ethyl]sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid
-
 ?
3.5.2.6 meropenem + H2O
-
 Klebsiella pneumoniae (4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-[[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
-
 ?
3.5.2.6 meropenem + H2O
-
 Klebsiella pneumoniae NP6 (4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-[[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
-
 ?
3.5.2.6 sulbactam + H2O
-
 Klebsiella pneumoniae (2R,4S)-2-(carboxymethyl)-5,5-dimethyl-1,1-dioxo-1lambda~6~,3-thiazolidine-4-carboxylic acid
-
 ?
3.5.2.6 sulbactam + H2O
-
 Klebsiella pneumoniae NP6 (2R,4S)-2-(carboxymethyl)-5,5-dimethyl-1,1-dioxo-1lambda~6~,3-thiazolidine-4-carboxylic acid
-
 ?
3.5.2.6 tazobactam + H2O
-
 Klebsiella pneumoniae (2R,4S,5S)-2-(carboxymethyl)-5-methyl-1,1-dioxo-5-[(1H-1,2,3-triazol-1-yl)methyl]-1lambda~6~,3-thiazolidine-4-carboxylic acid
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.5.2.6 carbapenemase
-
 Klebsiella pneumoniae
3.5.2.6 KPC-2
-
 Klebsiella pneumoniae

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
3.5.2.6 30
-
 assay at Klebsiella pneumoniae

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
3.5.2.6 7
-
 assay at Klebsiella pneumoniae

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
3.5.2.6 0.022
-
 tazobactam pH 7.0, 30°C Klebsiella pneumoniae
3.5.2.6 0.023
-
 Sulbactam pH 7.0, 30°C Klebsiella pneumoniae
3.5.2.6 0.03
-
 clavulanic acid pH 7.0, 30°C Klebsiella pneumoniae
3.5.2.6 0.0438
-
 ZINC01807204 pH 7.0, 30°C Klebsiella pneumoniae

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.5.2.6 0.099
-
 pH 7.0, 30°C Klebsiella pneumoniae tazobactam
3.5.2.6 0.106
-
 pH 7.0, 30°C Klebsiella pneumoniae Sulbactam
3.5.2.6 0.137
-
 pH 7.0, 30°C Klebsiella pneumoniae clavulanic acid
3.5.2.6 0.2
-
 pH 7.0, 30°C Klebsiella pneumoniae ZINC01807204