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Target
Glutamine--tRNA ligase
Ligand
BDBM18120
Substrate
BDBM18121
Meas. Tech.
Determination of the Inhibition Type and Constant (Ki)
pH
7.2±n/a
Temperature
310.15±n/a K
Ki
650000±n/a nM
Km
25000±n/a nM
Comments
Binding competitively at two distinct sites.
Citation
 Balg, C; Blais, SP; Bernier, S; Huot, JL; Couture, M; Lapointe, J; Chênevert, R Synthesis of beta-ketophosphonate analogs of glutamyl and glutaminyl adenylate, and selective inhibition of the corresponding bacterial aminoacyl-tRNA synthetases. Bioorg Med Chem 15:295-304 (2007) [PubMed]  Article 
Target
Name:
Glutamine--tRNA ligase
Synonyms:
Glutamine--tRNA ligase | SYQ_ECOLI | glnS | tRNA synthetase (GlnRS)
Type:
Enzyme
Mol. Mass.:
63474.13
Organism:
Escherichia coli (strain K12)
Description:
His6-tagged clone expressed in E. coli.
Residue:
554
Sequence:
MSEAEARPTNFIRQIIDEDLASGKHTTVHTRFPPEPNGYLHIGHAKSICLNFGIAQDYKGQCNLRFDDTNPVKEDIEYVESIKNDVEWLGFHWSGNVRYSSDYFDQLHAYAIELINKGLAYVDELTPEQIREYRGTLTQPGKNSPYRDRSVEENLALFEKMRAGGFEEGKACLRAKIDMASPFIVMRDPVLYRIKFAEHHQTGNKWCIYPMYDFTHCISDALEGITHSLCTLEFQDNRRLYDWVLDNITIPVHPRQYEFSRLNLEYTVMSKRKLNLLVTDKHVEGWDDPRMPTISGLRRRGYTAASIREFCKRIGVTKQDNTIEMASLESCIREDLNENAPRAMAVIDPVKLVIENYQGEGEMVTMPNHPNKPEMGSRQVPFSGEIWIDRADFREEANKQYKRLVLGKEVRLRNAYVIKAERVEKDAEGNITTIFCTYDADTLSKDPADGRKVKGVIHWVSAAHALPVEIRLYDRLFSVPNPGAADDFLSVINPESLVIKQGFAEPSLKDAVAGKAFQFEREGYFCLDSRHSTAEKPVFNRTVGLRDTWAKVGE
  
Inhibitor
Name:
BDBM18120
Synonyms:
Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3S)-3-amino-5-carbamoyl-2-oxopentyl]phosphonate | beta-ketophosphonate analogue
Type:
Small organic molecule
Emp. Form.:
C16H23N7O8P
Mol. Mass.:
472.3702
SMILES:
N[C@@H](CCC(N)=O)C(=O)CP([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:
BDBM18121
Synonyms:
(2S)-2-amino-4-carbamoylbutanoic acid | CHEMBL930 | Glutamine | L-[3,4-3H(N)]glutamine | US9138393, L-Glutamine | US9144538, L-Glutamine
Type:
Amino Acid
Emp. Form.:
C5H10N2O3
Mol. Mass.:
146.1445
SMILES:
N[C@@H](CCC(N)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: