Application | Comment | Organism |
---|---|---|
drug development | LeuRS is a potential target for antiparasitic drug development | Trypanosoma brucei |
Cloned (Comment) | Organism |
---|---|
LeuRS expression in Escherichia coli strain BL21(DE3)-RIPL | Trypanosoma brucei |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)-1-phenylprop-2-en-1-one | - |
Trypanosoma brucei | |
(2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)-1-phenylprop-2-en-1-one | - |
Trypanosoma brucei | |
(E)-[3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)]acrylic acid ethyl ester | - |
Trypanosoma brucei | |
1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl cyclohexylcarbamate | - |
Trypanosoma brucei | |
1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl phenylcarbamate | - |
Trypanosoma brucei | |
1-hydroxy-1,3-dihydro-2,1-benzoxaborole-7-carbaldehyde | - |
Trypanosoma brucei | |
1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one | - |
Trypanosoma brucei | |
1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one | - |
Trypanosoma brucei | |
1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one | - |
Trypanosoma brucei | |
2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
2,1-benzoxaborole-1,6(3H)-diol | - |
Trypanosoma brucei | |
2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-3-one | - |
Trypanosoma brucei | |
2-[3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propyl]-1H-isoindole-1,3(2H)-dione | - |
Trypanosoma brucei | |
3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-3-methylbutan-2-one | - |
Trypanosoma brucei | |
3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one | - |
Trypanosoma brucei | |
3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one | - |
Trypanosoma brucei | |
3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]heptan-4-one | - |
Trypanosoma brucei | |
3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]hexan-2-one | - |
Trypanosoma brucei | |
3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one | - |
Trypanosoma brucei | |
6-(2,2-dimethoxyethoxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(2-methoxyethoxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(benzyloxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(cyclohexylmethoxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(propan-2-yloxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(pyridin-2-ylmethoxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-(quinolin-2-yloxy)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-butoxy-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-ethoxy-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-propoxy-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-[(2-fluorobenzyl)oxy]-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
6-[(3-hydroxypentan-2-yl)oxy]-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
7-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol | - |
Trypanosoma brucei | |
ethyl (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)prop-2-enoate | - |
Trypanosoma brucei | |
ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-methylpropanoate | - |
Trypanosoma brucei | |
ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butanoate | - |
Trypanosoma brucei | |
ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propanoate | - |
Trypanosoma brucei | |
ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)propanoate | - |
Trypanosoma brucei | |
ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoate | - |
Trypanosoma brucei | |
ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy](phenyl)acetate | - |
Trypanosoma brucei | |
ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate | - |
Trypanosoma brucei | |
methyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate | - |
Trypanosoma brucei | |
additional information | enzyme drug inhibitor design and development based on the benzoxaborole structure, inhibitory potencies and effectiveness a anti-trypanosomal drugs, ligand, i.e. benzoxaborole-AMP, docking in the LeuRS homology model, overview | Trypanosoma brucei | |
N-ethyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide | - |
Trypanosoma brucei | |
N-tert-butyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide | - |
Trypanosoma brucei | |
tert-butyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate | - |
Trypanosoma brucei | |
tert-butyl [2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]ethyl]carbamate | - |
Trypanosoma brucei | |
[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetaldehyde | - |
Trypanosoma brucei | |
[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetic acid | - |
Trypanosoma brucei |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | - |
Trypanosoma brucei |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + L-leucine + tRNALeu | Trypanosoma brucei | - |
AMP + diphosphate + L-leucyl-tRNALeu | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Trypanosoma brucei | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + L-leucine + tRNALeu | - |
Trypanosoma brucei | AMP + diphosphate + L-leucyl-tRNALeu | - |
? |
Subunits | Comment | Organism |
---|---|---|
More | homology modelling of Trypanosoma brucei LeuRS editing domain CP1 using Candida albicans LeuRS CP1 domain as the template, PDB ID 2WFG | Trypanosoma brucei |
Synonyms | Comment | Organism |
---|---|---|
Leucyl-tRNA synthetase | - |
Trypanosoma brucei |
LeuRS | - |
Trypanosoma brucei |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Trypanosoma brucei |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.8 | - |
assay at | Trypanosoma brucei |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
ATP | - |
Trypanosoma brucei |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0016 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butanoate | |
0.0021 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-methylpropanoate | |
0.0025 | - |
pH 7.8, 37°C | Trypanosoma brucei | 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-3-one | |
0.0028 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propanoate | |
0.0029 | - |
pH 7.8, 37°C | Trypanosoma brucei | 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]heptan-4-one | |
0.0035 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate | |
0.0035 | - |
pH 7.8, 37°C | Trypanosoma brucei | 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one | |
0.0036 | - |
pH 7.8, 37°C | Trypanosoma brucei | methyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate | |
0.0038 | - |
pH 7.8, 37°C | Trypanosoma brucei | 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one | |
0.0045 | - |
pH 7.8, 37°C | Trypanosoma brucei | 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one | |
0.005 | - |
pH 7.8, 37°C | Trypanosoma brucei | 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-3-methylbutan-2-one | |
0.0074 | - |
pH 7.8, 37°C | Trypanosoma brucei | tert-butyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate | |
0.013 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-ethoxy-2,1-benzoxaborol-1(3H)-ol | |
0.0158 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-(propan-2-yloxy)-2,1-benzoxaborol-1(3H)-ol | |
0.0167 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)propanoate | |
0.0221 | - |
pH 7.8, 37°C | Trypanosoma brucei | 2,1-benzoxaborol-1(3H)-ol | |
0.0256 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-[(2-fluorobenzyl)oxy]-2,1-benzoxaborol-1(3H)-ol | |
0.0272 | - |
pH 7.8, 37°C | Trypanosoma brucei | 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one | |
0.0306 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-(benzyloxy)-2,1-benzoxaborol-1(3H)-ol | |
0.0308 | - |
pH 7.8, 37°C | Trypanosoma brucei | 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one | |
0.0309 | - |
pH 7.8, 37°C | Trypanosoma brucei | 2,1-benzoxaborole-1,6(3H)-diol | |
0.0309 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-propoxy-2,1-benzoxaborol-1(3H)-ol | |
0.0314 | - |
pH 7.8, 37°C | Trypanosoma brucei | 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]hexan-2-one | |
0.0323 | - |
pH 7.8, 37°C | Trypanosoma brucei | 1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl cyclohexylcarbamate | |
0.0417 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy](phenyl)acetate | |
0.0431 | - |
pH 7.8, 37°C | Trypanosoma brucei | 1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl phenylcarbamate | |
0.0543 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-butoxy-2,1-benzoxaborol-1(3H)-ol | |
0.063 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-(quinolin-2-yloxy)-2,1-benzoxaborol-1(3H)-ol | |
0.0676 | - |
pH 7.8, 37°C | Trypanosoma brucei | 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one | |
0.0713 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-(2,2-dimethoxyethoxy)-2,1-benzoxaborol-1(3H)-ol | |
0.0777 | - |
pH 7.8, 37°C | Trypanosoma brucei | N-ethyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide | |
0.1 | - |
above, I114pH 7.8, 37°C | Trypanosoma brucei | N-tert-butyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | 6-(pyridin-2-ylmethoxy)-2,1-benzoxaborol-1(3H)-ol | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | 2-[3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propyl]-1H-isoindole-1,3(2H)-dione | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | 6-(cyclohexylmethoxy)-2,1-benzoxaborol-1(3H)-ol | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetic acid | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetaldehyde | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | tert-butyl [2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]ethyl]carbamate | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | 6-(2-methoxyethoxy)-2,1-benzoxaborol-1(3H)-ol | |
0.1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | 6-[(3-hydroxypentan-2-yl)oxy]-2,1-benzoxaborol-1(3H)-ol | |
0.209 | - |
pH 7.8, 37°C | Trypanosoma brucei | (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)-1-phenylprop-2-en-1-one | |
0.412 | - |
pH 7.8, 37°C | Trypanosoma brucei | (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)-1-phenylprop-2-en-1-one | |
0.541 | - |
pH 7.8, 37°C | Trypanosoma brucei | 7-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol | |
0.578 | - |
pH 7.8, 37°C | Trypanosoma brucei | ethyl (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)prop-2-enoate | |
0.688 | - |
pH 7.8, 37°C | Trypanosoma brucei | 6-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol | |
1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | (E)-[3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)]acrylic acid ethyl ester | |
1 | - |
above, pH 7.8, 37°C | Trypanosoma brucei | ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoate |