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Target
Aspartate--tRNA ligase
Ligand
BDBM18127
Substrate
BDBM18125
Meas. Tech.
Determination of the Inhibition Type and Constant (Ki)
pH
7.5±n/a
Temperature
310.15±n/a K
Ki
15±n/a nM
Comments
Competitive inhibition.
Citation
 Bernier, S; Akochy, PM; Lapointe, J; Chênevert, R Synthesis and aminoacyl-tRNA synthetase inhibitory activity of aspartyl adenylate analogs. Bioorg Med Chem 13:69-75 (2005) [PubMed]  Article 
Target
Name:
Aspartate--tRNA ligase
Synonyms:
Aspartate--tRNA ligase | Aspartyl-tRNA synthetase | SYD_ECOLI | aspS | tRNA synthetase (AspRS) | tls
Type:
Enzyme
Mol. Mass.:
65905.14
Organism:
Escherichia coli
Description:
E. coli AspRS carrying a C-terminal poly-histidine tag was overproduced in E. coli.
Residue:
590
Sequence:
MRTEYCGQLRLSHVGQQVTLCGWVNRRRDLGSLIFIDMRDREGIVQVFFDPDRADALKLASELRNEFCIQVTGTVRARDEKNINRDMATGEIEVLASSLTIINRADVLPLDSNHVNTEEARLKYRYLDLRRPEMAQRLKTRAKITSLVRRFMDDHGFLDIETPMLTKATPEGARDYLVPSRVHKGKFYALPQSPQLFKQLLMMSGFDRYYQIVKCFRDEDLRADRQPEFTQIDVETSFMTAPQVREVMEALVRHLWLEVKGVDLGDFPVMTFAEAERRYGSDKPDLRNPMELTDVADLLKSVEFAVFAGPANDPKGRVAALRVPGGASLTRKQIDEYGNFVKIYGAKGLAYIKVNERAKGLEGINSPVAKFLNAEIIEDILDRTAAQDGDMIFFGADNKKIVADAMGALRLKVGKDLGLTDESKWAPLWVIDFPMFEDDGEGGLTAMHHPFTSPKDMTAAELKAAPENAVANAYDMVINGYEVGGGSVRIHNGDMQQTVFGILGINEEEQREKFGFLLDALKYGTPPHAGLAFGLDRLTMLLTGTDNIRDVIAFPKTTAAACLMTEAPSFANPTALAELSIQVVKKAENN
  
Inhibitor
Name:
BDBM18127
Synonyms:
3-amino-4-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-4-oxobutanoic acid | 5-O-[N-(L-aspartyl)sulfamoyl]adenosine, 9
Type:
Small organic molecule
Emp. Form.:
C14H19N7O9S
Mol. Mass.:
461.407
SMILES:
NC(CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18125
Synonyms:
(2S)-2-aminobutanedioic acid | Aspartate | CHEMBL274323 | L-Aspartate | L-Aspartic acid, 2 | L-[14C]aspartate
Type:
Amino Acid
Emp. Form.:
C4H7NO4
Mol. Mass.:
133.1027
SMILES:
N[C@@H](CC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: