Any feedback?
Literature summary for 3.5.2.6 extracted from
- Evaluation of inhibitory action of novel non beta-lactam inhibitor against Klebsiella pneumoniae carbapenemase (KPC-2) (2014), PLoS ONE, 9, e108246.
Application
| Application | Comment | Organism |
|---|---|---|
| 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)
| Cloned (Comment) | Organism |
|---|---|
| gene blaKPC-2, recombinant expression of His-tagged enzyme in Escherichia coli strain BL21(DE3) | Klebsiella pneumoniae |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| clavulanic acid | - |
Klebsiella pneumoniae |  |
| 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 | |
| Sulbactam | - |
Klebsiella pneumoniae | |
| tazobactam | - |
Klebsiella pneumoniae | |
| 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 | |
| ZINC02318494 | - |
Klebsiella pneumoniae | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Klebsiella pneumoniae | G3GCC6 | - |
- |
| Klebsiella pneumoniae NP6 | G3GCC6 | - |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
| recombinant His-tagged enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and dialysis | Klebsiella pneumoniae |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| clavulanic acid + H2O | - |
Klebsiella pneumoniae | (2R,4R,5Z)-2-(carboxymethyl)-5-(2-hydroxyethylidene)-1,3-oxazolidine-4-carboxylic acid | - |
? | |
| clavulanic acid + H2O | - |
Klebsiella pneumoniae NP6 | (2R,4R,5Z)-2-(carboxymethyl)-5-(2-hydroxyethylidene)-1,3-oxazolidine-4-carboxylic acid | - |
? | |
| 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 | - |
? | |
| 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 | - |
? | |
| 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 | - |
? | |
| 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 | - |
? | |
| 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 | - |
? | |
| 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 | - |
? | |
| sulbactam + H2O | - |
Klebsiella pneumoniae | (2R,4S)-2-(carboxymethyl)-5,5-dimethyl-1,1-dioxo-1lambda~6~,3-thiazolidine-4-carboxylic acid | - |
? | |
| sulbactam + H2O | - |
Klebsiella pneumoniae NP6 | (2R,4S)-2-(carboxymethyl)-5,5-dimethyl-1,1-dioxo-1lambda~6~,3-thiazolidine-4-carboxylic acid | - |
? | |
| 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
| Synonyms | Comment | Organism |
|---|---|---|
| carbapenemase | - |
Klebsiella pneumoniae |
| KPC-2 | - |
Klebsiella pneumoniae |
Temperature Optimum [°C]
| Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|
| 30 | - |
assay at | Klebsiella pneumoniae |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 7 | - |
assay at | Klebsiella pneumoniae |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.022 | - |
tazobactam | pH 7.0, 30°C | Klebsiella pneumoniae | |
| 0.023 | - |
Sulbactam | pH 7.0, 30°C | Klebsiella pneumoniae | |
| 0.03 | - |
clavulanic acid | pH 7.0, 30°C | Klebsiella pneumoniae | |
| 0.0438 | - |
ZINC01807204 | pH 7.0, 30°C | Klebsiella pneumoniae | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.099 | - |
pH 7.0, 30°C | Klebsiella pneumoniae | tazobactam | |
| 0.106 | - |
pH 7.0, 30°C | Klebsiella pneumoniae | Sulbactam | |
| 0.137 | - |
pH 7.0, 30°C | Klebsiella pneumoniae | clavulanic acid | |
| 0.2 | - |
pH 7.0, 30°C | Klebsiella pneumoniae | ZINC01807204 | |
Use of this online version of BRENDA is free under the CC BY 4.0 license. See terms of use for full details.
Release 2023.1 (January 2023)
Legal
Curated at
Member of
