Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargettRNA synthetase (AspRS)
LigandBDBM18124
Substrate/CompetitorBDBM18125
Meas. Tech.Determination of the Inhibition Type and Constant (Ki)
pH7.5±n/a
Temperature310.15±n/a K
Ki 45000±n/a nM
Citation Bernier, SAkochy, PMLapointe, JChênevert, R Synthesis and aminoacyl-tRNA synthetase inhibitory activity of aspartyl adenylate analogs. Bioorg Med Chem13:69-75 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
tRNA synthetase (AspRS)
Name:tRNA synthetase (AspRS)
Synonyms:Aspartate--tRNA ligase | Aspartyl-tRNA synthetase
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:
MRTEYCGQLRLSHVGQQVTLCGWVNRRRDLGSLIFIDMRDREGIVQVFFDPDRADALKLA
SELRNEFCIQVTGTVRARDEKNINRDMATGEIEVLASSLTIINRADVLPLDSNHVNTEEA
RLKYRYLDLRRPEMAQRLKTRAKITSLVRRFMDDHGFLDIETPMLTKATPEGARDYLVPS
RVHKGKFYALPQSPQLFKQLLMMSGFDRYYQIVKCFRDEDLRADRQPEFTQIDVETSFMT
APQVREVMEALVRHLWLEVKGVDLGDFPVMTFAEAERRYGSDKPDLRNPMELTDVADLLK
SVEFAVFAGPANDPKGRVAALRVPGGASLTRKQIDEYGNFVKIYGAKGLAYIKVNERAKG
LEGINSPVAKFLNAEIIEDILDRTAAQDGDMIFFGADNKKIVADAMGALRLKVGKDLGLT
DESKWAPLWVIDFPMFEDDGEGGLTAMHHPFTSPKDMTAAELKAAPENAVANAYDMVING
YEVGGGSVRIHNGDMQQTVFGILGINEEEQREKFGFLLDALKYGTPPHAGLAFGLDRLTM
LLTGTDNIRDVIAFPKTTAAACLMTEAPSFANPTALAELSIQVVKKAENN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18124
BDBM18125
NameBDBM18124
Synonyms:(3S)-3-amino-4-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]butanoic acid | L-aspartol adenylate, 5
TypeSmall organic molecule
Emp. Form.C14H21N6O9P
Mol. Mass.448.3251
SMILESN[C@H](COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC(O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: