Reaction Details |
| Report a problem with these data |
Target | Phenylalanine--tRNA ligase alpha/beta subunit |
---|
Ligand | BDBM18108 |
---|
Substrate/Competitor | BDBM18073 |
---|
Meas. Tech. | Homogeneous Enzyme Assay with SPA Beads |
---|
pH | 2±n/a |
---|
IC50 | 58±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 Lett15:2305-9 (2005) [PubMed] Article |
---|
More Info.: | Get all data from this article, Solution Info, Assay Method |
---|
|
Phenylalanine--tRNA ligase alpha/beta subunit |
---|
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: | MSEQQTMSELKQQALVDINEANDERALQEVKVKYLGKKGSVSGLMKLMKDLPNEEKPAFG
QKVNELRQTIQNELDERQQMLVKEKLNKQLAEETIDVSLPGRHIEIGSKHPLTRTIEEIE
DLFLGLGYEIVNGYEVEQDHYNFEMLNLPKSHPARDMQDSFYITDEILLRTHTSPVQART
MESRHGQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNVKMSDLKGTLELLAKKL
FGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMA
GFDSSEYSGFAFGMGPDRIAMLKYGIEDIRHFYTNDVRFLDQFKAVEDRGDM
|
|
|
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: | MSEQQTMSELKQQALVDINEANDERALQEVKVKYLGKKGSVSGLMKLMKDLPNEEKPAFG
QKVNELRQTIQNELDERQQMLVKEKLNKQLAEETIDVSLPGRHIEIGSKHPLTRTIEEIE
DLFLGLGYEIVNGYEVEQDHYNFEMLNLPKSHPARDMQDSFYITDEILLRTHTSPVQART
MESRHGQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNVKMSDLKGTLELLAKKL
FGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMA
GFDSSEYSGFAFGMGPDRIAMLKYGIEDIRHFYTNDVRFLDQFKAVEDRGDM
|
|
|
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: | MLISNEWLKEYVTIDDSVSDLAERITRTGIEVDDLIDYTKDIKNLVVGFVKSKEKHPDAD
KLNVCQVDIGEDEPVQIVCGAPNVDAGQYVIVAKVGGRLPGGIKIKRAKLRGERSEGMIC
SLQEIGISSNYIPKSFESGIYVFSESQVPGTDALQALYLDDQVMEFDLTPNRADALSMIG
TAYEVAALYNTKMTKPETTSNELELSANDELTVTIENEDKVPYYSARVVHDVTIEPSPIW
MQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDAIGSQQIVVRQANEGEKMTTLDD
TERELLTSDIVITNGQTPIALAGVMGGDFSEVKEQTSNIVIEGAIFDPVSIRHTSRRLNL
RSESSSRFEKGIATEFVDEAVDRACYLLQTYANGKVLKDRVSSGELGAFITPIDITADKI
NRTIGFDLSQNDIVTIFNQLGFDTEINDDVITVLVPSRRKDITIKEDLIEEVARIYGYDD
IPSTLPVFDKVTSGQLTDRQYKTRMVKEVLEGAGLDQAITYSLVSKEDATAFSMQQRQTI
DLLMPMSEAHASLRQSLLPHLIEVASYNVARKNKDVKLFEIGNVFFANGEGELPDQVEYL
SGILTGDYVVNQWQGKKETVDFYLAKGVVDRVSEKLNLEFSYRRADIDGLHPGRTAEILL
ENKVVGFIGELHPTLAADNDLKRTYVFELNFDALMAVSVGYINYQPIPRFPGMSRDIALE
VDQNIPAADLLSTIHAHGGNILKDTLVFDVYQGEHLEKGKKSIAIRLNYLDTEETLTDER
VSKVQAEIEAALIEQGAVIR
|
|
|
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: | MLISNEWLKEYVTIDDSVSDLAERITRTGIEVDDLIDYTKDIKNLVVGFVKSKEKHPDAD
KLNVCQVDIGEDEPVQIVCGAPNVDAGQYVIVAKVGGRLPGGIKIKRAKLRGERSEGMIC
SLQEIGISSNYIPKSFESGIYVFSESQVPGTDALQALYLDDQVMEFDLTPNRADALSMIG
TAYEVAALYNTKMTKPETTSNELELSANDELTVTIENEDKVPYYSARVVHDVTIEPSPIW
MQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDAIGSQQIVVRQANEGEKMTTLDD
TERELLTSDIVITNGQTPIALAGVMGGDFSEVKEQTSNIVIEGAIFDPVSIRHTSRRLNL
RSESSSRFEKGIATEFVDEAVDRACYLLQTYANGKVLKDRVSSGELGAFITPIDITADKI
NRTIGFDLSQNDIVTIFNQLGFDTEINDDVITVLVPSRRKDITIKEDLIEEVARIYGYDD
IPSTLPVFDKVTSGQLTDRQYKTRMVKEVLEGAGLDQAITYSLVSKEDATAFSMQQRQTI
DLLMPMSEAHASLRQSLLPHLIEVASYNVARKNKDVKLFEIGNVFFANGEGELPDQVEYL
SGILTGDYVVNQWQGKKETVDFYLAKGVVDRVSEKLNLEFSYRRADIDGLHPGRTAEILL
ENKVVGFIGELHPTLAADNDLKRTYVFELNFDALMAVSVGYINYQPIPRFPGMSRDIALE
VDQNIPAADLLSTIHAHGGNILKDTLVFDVYQGEHLEKGKKSIAIRLNYLDTEETLTDER
VSKVQAEIEAALIEQGAVIR
|
|
|
BDBM18108 |
---|
BDBM18073 |
---|
Name | BDBM18108 |
Synonyms: | 3-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]propanoic acid | ethanolamine, 53 |
Type | Small organic molecule |
Emp. Form. | C16H18BrNO4S |
Mol. Mass. | 400.287 |
SMILES | OC(CNCc1ccccc1OCCC(O)=O)c1cc(Br)cs1 |
Structure |
|