Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachloroanilino)benzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
2-(1,3-benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
2-(3-chloro-2-methylanilino)benzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
2-(3-chloroanilino)benzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
2-(4-chloroanilino)benzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
2-anilino-4-chlorobenzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
2-[2-chloro-5-(trifluoromethyl)anilino]-5-methoxybenzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium | |
additional information | structure-based virtual screening of LsrK kinase inhibitors to target quorum sensing, overview. LsrK 3D modeling and virtual screening of a locally available database. Identified LsrK inhibitors can be further optimized as antivirulence agents | Salmonella enterica subsp. enterica serovar Typhimurium | |
[(3-chloro-2-methylphenyl)amino]benzoic acid | - |
Salmonella enterica subsp. enterica serovar Typhimurium |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | required | Salmonella enterica subsp. enterica serovar Typhimurium |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + (S)-4,5-dihydroxypentane-2,3-dione | Salmonella enterica subsp. enterica serovar Typhimurium | - |
ADP + (S)-4-hydroxypentane-2,3-dione 5-phosphate | - |
? | |
ATP + (S)-4,5-dihydroxypentane-2,3-dione | Salmonella enterica subsp. enterica serovar Typhimurium SGSC1412 | - |
ADP + (S)-4-hydroxypentane-2,3-dione 5-phosphate | - |
? | |
ATP + (S)-4,5-dihydroxypentane-2,3-dione | Salmonella enterica subsp. enterica serovar Typhimurium ATCC 700720 | - |
ADP + (S)-4-hydroxypentane-2,3-dione 5-phosphate | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Salmonella enterica subsp. enterica serovar Typhimurium | Q8ZKQ6 | - |
- |
Salmonella enterica subsp. enterica serovar Typhimurium ATCC 700720 | Q8ZKQ6 | - |
- |
Salmonella enterica subsp. enterica serovar Typhimurium SGSC1412 | Q8ZKQ6 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + (S)-4,5-dihydroxypentane-2,3-dione | - |
Salmonella enterica subsp. enterica serovar Typhimurium | ADP + (S)-4-hydroxypentane-2,3-dione 5-phosphate | - |
? | |
ATP + (S)-4,5-dihydroxypentane-2,3-dione | - |
Salmonella enterica subsp. enterica serovar Typhimurium SGSC1412 | ADP + (S)-4-hydroxypentane-2,3-dione 5-phosphate | - |
? | |
ATP + (S)-4,5-dihydroxypentane-2,3-dione | - |
Salmonella enterica subsp. enterica serovar Typhimurium ATCC 700720 | ADP + (S)-4-hydroxypentane-2,3-dione 5-phosphate | - |
? | |
additional information | (S)-4,5-dihydroxypentane-2,3-dione (DPD) docking results show that the C5 position of DPD, where the phosphorylation occurs, orients toward ATP by forming interactions with Thr21 | Salmonella enterica subsp. enterica serovar Typhimurium | ? | - |
- |
|
additional information | (S)-4,5-dihydroxypentane-2,3-dione (DPD) docking results show that the C5 position of DPD, where the phosphorylation occurs, orients toward ATP by forming interactions with Thr21 | Salmonella enterica subsp. enterica serovar Typhimurium SGSC1412 | ? | - |
- |
|
additional information | (S)-4,5-dihydroxypentane-2,3-dione (DPD) docking results show that the C5 position of DPD, where the phosphorylation occurs, orients toward ATP by forming interactions with Thr21 | Salmonella enterica subsp. enterica serovar Typhimurium ATCC 700720 | ? | - |
- |
Subunits | Comment | Organism |
---|---|---|
More | LsrK kinase has two domains: N-terminal domain of residues 13-260 (domain I) and C-terminal domain of residues 271-468 (domain II). These two domains form a prominent cleft at their interface including both the ATP and the substrate binding sites | Salmonella enterica subsp. enterica serovar Typhimurium |
Synonyms | Comment | Organism |
---|---|---|
lsrK | - |
Salmonella enterica subsp. enterica serovar Typhimurium |
LsrK kinase | - |
Salmonella enterica subsp. enterica serovar Typhimurium |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
22 | - |
assay at room temperature | Salmonella enterica subsp. enterica serovar Typhimurium |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.4 | - |
assay at | Salmonella enterica subsp. enterica serovar Typhimurium |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
ATP | - |
Salmonella enterica subsp. enterica serovar Typhimurium |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.011 | - |
at 0.025 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachloroanilino)benzoic acid | |
0.012 | - |
at 0.1 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachloroanilino)benzoic acid | |
0.02 | - |
at 0.025 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-anilino-4-chlorobenzoic acid | |
0.023 | - |
at 0.025 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-(3-chloroanilino)benzoic acid | |
0.03 | - |
at 0.1 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-anilino-4-chlorobenzoic acid | |
0.031 | - |
at 0.025 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-[2-chloro-5-(trifluoromethyl)anilino]-5-methoxybenzoic acid | |
0.032 | - |
at 0.025 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-(3-chloro-2-methylanilino)benzoic acid | |
0.036 | - |
at 0.025 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-(4-chloroanilino)benzoic acid | |
0.067 | - |
at 0.1 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-[2-chloro-5-(trifluoromethyl)anilino]-5-methoxybenzoic acid | |
0.07 | - |
at 0.1 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-(3-chloro-2-methylanilino)benzoic acid | |
0.119 | - |
at 0.1 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-(3-chloroanilino)benzoic acid | |
0.141 | - |
at 0.1 mM ATP, pH 7.4, 22°C, recombinant enzyme | Salmonella enterica subsp. enterica serovar Typhimurium | 2-(4-chloroanilino)benzoic acid |
General Information | Comment | Organism |
---|---|---|
malfunction | inhibition of LsrK leads to quorum sensing inactivation and interfere with the pathogenesis | Salmonella enterica subsp. enterica serovar Typhimurium |
additional information | three-dimensional homology structure modeling of LsrK, overview. LsrK kinase has two domains: N-terminal domain of residues 13-260 (domain I) and C-terminal domain of residues 271-468 (domain II). These two domains form a prominent cleft at their interface including both the ATP and the substrate binding sites. This putative binding site constituted both the ATP binding site and the substrate binding site. The substrate binding site is located deep in the cleft, whereas the ATP binding site is located near the entrance of the pocket. (S)-4,5-Dihydroxypentane-2,3-dione (DPD) docking results show that the C5 position of DPD, where the phosphorylation occurs, orients toward ATP by forming interactions with Thr21 | Salmonella enterica subsp. enterica serovar Typhimurium |
physiological function | LsrK is a kinase responsible for the phosphorylation of autoinducer-2, a signaling molecule involved in quorum sensing, the method of bacterial communication | Salmonella enterica subsp. enterica serovar Typhimurium |