Reaction Details
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Target
Aspartate--tRNA ligase
Ligand
BDBM18126
Substrate
BDBM18125
Meas. Tech.
Determination of the Inhibition Type and Constant (Ki)
pH
7.5±n/a
Temperature
310.15±n/a K
Ki
123±n/a nM
Citation
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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:
BDBM18126
Synonyms:
3-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)-4-oxopentanoic acid | beta-ketophosphonate, 15
Type:
Small organic molecule
Emp. Form.:
C15H21N6O9P
Mol. Mass.:
460.3358
SMILES:
NC(CC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|