Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 2.7.1.189 extracted from

  • Medarametla, P.; Gatta, V.; Kajander, T.; Laitinen, T.; Tammela, P.; Poso, A.
    Structure-based virtual screening of LsrK kinase inhibitors to target quorum sensing (2018), ChemMedChem, 13, 2400-2407 .
    View publication on PubMed

Inhibitors

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

Metals/Ions Comment Organism Structure
Mg2+ required Salmonella enterica subsp. enterica serovar Typhimurium

Natural Substrates/ Products (Substrates)

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

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 and Products (Substrate)

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

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

Synonyms Comment Organism
lsrK
-
Salmonella enterica subsp. enterica serovar Typhimurium
LsrK kinase
-
Salmonella enterica subsp. enterica serovar Typhimurium

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
22
-
assay at room temperature Salmonella enterica subsp. enterica serovar Typhimurium

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.4
-
assay at Salmonella enterica subsp. enterica serovar Typhimurium

Cofactor

Cofactor Comment Organism Structure
ATP
-
Salmonella enterica subsp. enterica serovar Typhimurium

IC50 Value

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

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