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Target
Phenylalanine--tRNA ligase alpha/beta subunit
Ligand
BDBM18102
Substrate
BDBM18073
Meas. Tech.
Homogeneous Enzyme Assay with SPA Beads
pH
2±n/a
IC50
16±n/a nM
Comments
extracted
Citation
 Jarvest, RL; Erskine, SG; Forrest, AK; Fosberry, AP; Hibbs, MJ; Jones, JJ; O'Hanlon, PJ; Sheppard, RJ; Worby, A Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase. Bioorg Med Chem Lett 15:2305-9 (2005) [PubMed]  Article 
Target
Name:
Phenylalanine--tRNA ligase alpha/beta subunit
Synonyms:
tRNA synthetase (PheRS)
Type:
Tetramer of two alpha and two beta chains.
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 4 components.
Component 1
Name:
Phenylalanine--tRNA ligase alpha subunit
Synonyms:
Phenylalanine--tRNA ligase alpha chain | SYFA_STAAU | pheS | tRNA synthetase (PheRS) alpha chain
Type:
Enzyme Subunit
Mol. Mass.:
40113.71
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
352
Sequence:
MSEQQTMSELKQQALVDINEANDERALQEVKVKYLGKKGSVSGLMKLMKDLPNEEKPAFGQKVNELRQTIQNELDERQQMLVKEKLNKQLAEETIDVSLPGRHIEIGSKHPLTRTIEEIEDLFLGLGYEIVNGYEVEQDHYNFEMLNLPKSHPARDMQDSFYITDEILLRTHTSPVQARTMESRHGQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNVKMSDLKGTLELLAKKLFGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMAGFDSSEYSGFAFGMGPDRIAMLKYGIEDIRHFYTNDVRFLDQFKAVEDRGDM
  
Component 2
Name:
Phenylalanine--tRNA ligase alpha subunit
Synonyms:
Phenylalanine--tRNA ligase alpha chain | SYFA_STAAU | pheS | tRNA synthetase (PheRS) alpha chain
Type:
Enzyme Subunit
Mol. Mass.:
40113.71
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
352
Sequence:
MSEQQTMSELKQQALVDINEANDERALQEVKVKYLGKKGSVSGLMKLMKDLPNEEKPAFGQKVNELRQTIQNELDERQQMLVKEKLNKQLAEETIDVSLPGRHIEIGSKHPLTRTIEEIEDLFLGLGYEIVNGYEVEQDHYNFEMLNLPKSHPARDMQDSFYITDEILLRTHTSPVQARTMESRHGQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNVKMSDLKGTLELLAKKLFGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMAGFDSSEYSGFAFGMGPDRIAMLKYGIEDIRHFYTNDVRFLDQFKAVEDRGDM
  
Component 3
Name:
Phenylalanine--tRNA ligase beta subunit
Synonyms:
Phenylalanine--tRNA ligase beta chain | Phenylalanyl-tRNA synthetase beta chain | SYFB_STAAU | pheT | tRNA synthetase (PheRS) beta chain
Type:
Enzyme Subunit
Mol. Mass.:
88924.81
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
800
Sequence:
MLISNEWLKEYVTIDDSVSDLAERITRTGIEVDDLIDYTKDIKNLVVGFVKSKEKHPDADKLNVCQVDIGEDEPVQIVCGAPNVDAGQYVIVAKVGGRLPGGIKIKRAKLRGERSEGMICSLQEIGISSNYIPKSFESGIYVFSESQVPGTDALQALYLDDQVMEFDLTPNRADALSMIGTAYEVAALYNTKMTKPETTSNELELSANDELTVTIENEDKVPYYSARVVHDVTIEPSPIWMQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDAIGSQQIVVRQANEGEKMTTLDDTERELLTSDIVITNGQTPIALAGVMGGDFSEVKEQTSNIVIEGAIFDPVSIRHTSRRLNLRSESSSRFEKGIATEFVDEAVDRACYLLQTYANGKVLKDRVSSGELGAFITPIDITADKINRTIGFDLSQNDIVTIFNQLGFDTEINDDVITVLVPSRRKDITIKEDLIEEVARIYGYDDIPSTLPVFDKVTSGQLTDRQYKTRMVKEVLEGAGLDQAITYSLVSKEDATAFSMQQRQTIDLLMPMSEAHASLRQSLLPHLIEVASYNVARKNKDVKLFEIGNVFFANGEGELPDQVEYLSGILTGDYVVNQWQGKKETVDFYLAKGVVDRVSEKLNLEFSYRRADIDGLHPGRTAEILLENKVVGFIGELHPTLAADNDLKRTYVFELNFDALMAVSVGYINYQPIPRFPGMSRDIALEVDQNIPAADLLSTIHAHGGNILKDTLVFDVYQGEHLEKGKKSIAIRLNYLDTEETLTDERVSKVQAEIEAALIEQGAVIR
  
Component 4
Name:
Phenylalanine--tRNA ligase beta subunit
Synonyms:
Phenylalanine--tRNA ligase beta chain | Phenylalanyl-tRNA synthetase beta chain | SYFB_STAAU | pheT | tRNA synthetase (PheRS) beta chain
Type:
Enzyme Subunit
Mol. Mass.:
88924.81
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
800
Sequence:
MLISNEWLKEYVTIDDSVSDLAERITRTGIEVDDLIDYTKDIKNLVVGFVKSKEKHPDADKLNVCQVDIGEDEPVQIVCGAPNVDAGQYVIVAKVGGRLPGGIKIKRAKLRGERSEGMICSLQEIGISSNYIPKSFESGIYVFSESQVPGTDALQALYLDDQVMEFDLTPNRADALSMIGTAYEVAALYNTKMTKPETTSNELELSANDELTVTIENEDKVPYYSARVVHDVTIEPSPIWMQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDAIGSQQIVVRQANEGEKMTTLDDTERELLTSDIVITNGQTPIALAGVMGGDFSEVKEQTSNIVIEGAIFDPVSIRHTSRRLNLRSESSSRFEKGIATEFVDEAVDRACYLLQTYANGKVLKDRVSSGELGAFITPIDITADKINRTIGFDLSQNDIVTIFNQLGFDTEINDDVITVLVPSRRKDITIKEDLIEEVARIYGYDDIPSTLPVFDKVTSGQLTDRQYKTRMVKEVLEGAGLDQAITYSLVSKEDATAFSMQQRQTIDLLMPMSEAHASLRQSLLPHLIEVASYNVARKNKDVKLFEIGNVFFANGEGELPDQVEYLSGILTGDYVVNQWQGKKETVDFYLAKGVVDRVSEKLNLEFSYRRADIDGLHPGRTAEILLENKVVGFIGELHPTLAADNDLKRTYVFELNFDALMAVSVGYINYQPIPRFPGMSRDIALEVDQNIPAADLLSTIHAHGGNILKDTLVFDVYQGEHLEKGKKSIAIRLNYLDTEETLTDERVSKVQAEIEAALIEQGAVIR
  
Inhibitor
Name:
BDBM18102
Synonyms:
1-(4-bromothiophen-2-yl)-2-({[2-(pyridin-4-ylmethoxy)phenyl]methyl}amino)ethan-1-ol | ethanolamine, 47
Type:
Small organic molecule
Emp. Form.:
C19H19BrN2O2S
Mol. Mass.:
419.335
SMILES:
OC(CNCc1ccccc1OCc1ccncc1)c1cc(Br)cs1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18073
Synonyms:
(2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523 | L-[2,3,4,5,6-3H]phenylalanine | L-phenylalanine | Phenylalanine | US11021454, Compound L-phe
Type:
Amino Acid
Emp. Form.:
C9H11NO2
Mol. Mass.:
165.1891
SMILES:
N[C@@H](Cc1ccccc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: