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Literature summary for 6.1.1.10 extracted from
- Pharmacophore-based virtual screening: the discovery of novel methionyl-tRNA synthetase inhibitors (2006), Bioorg. Med. Chem. Lett., 16, 4898-4907.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 4-[(E)-[([[N-(thiophen-2-ylcarbonyl)glycyl]amino]methyl)imino]methyl]benzoic acid | structure molecular modeling, binding mode, detailed overview | Escherichia coli |  |
| additional information | large scale MetRS inhibitor screening, diverse compounds, overview | Escherichia coli |
Metals/Ions
| Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|
| Mg2+ | - |
Escherichia coli | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| ATP + L-methionine + tRNAMet | Escherichia coli | - |
AMP + diphosphate + L-methionyl-tRNAMet | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Escherichia coli | - |
- |
- |
Reaction
| Reaction | Comment | Organism | Reaction ID |
|---|---|---|---|
| ATP + L-methionine + tRNAMet = AMP + diphosphate + L-methionyl-tRNAMet | the aminoacylation reaction is a two-step mechanism: in the first step, the synthetase recognizes the appropriate amino acid and activates it with ATP to form the activated intermediate, an aminoacyl-adenylate, aa-AMP, the second step transfers the aminoacyl moiety onto the 3'-hydroxyl of the CCA end of the tRNA, the methionine-binding pocket is composed of residues Ala12, Leu13, Tyr15, Trp253, Ala256, Pro257, Tyr260, Ile297, His301, and Trp305 | Escherichia coli |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| ATP + L-methionine + tRNAMet | - |
Escherichia coli | AMP + diphosphate + L-methionyl-tRNAMet | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| methionyl-tRNA synthetase | - |
Escherichia coli |
| MetRS | - |
Escherichia coli |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| ATP | - |
Escherichia coli | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.000237 | - |
- |
Escherichia coli | 4-[(E)-[([[N-(thiophen-2-ylcarbonyl)glycyl]amino]methyl)imino]methyl]benzoic acid | |
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