Table 3 Top scoring SMID-BLAST ligand hits for TrpRS and TyrRS across a wide range of organisms. 82 TrpRS sequences and 83 TyrRS sequences were employed. The expected best ligand is shown in bold.
| Â | Ligand to TrpRS | Hits | Ligand to TyrRS | Hits |
|---|---|---|---|---|
Top scoring ligand, ignoring ATP and Mg++ | Tryptophanyl Adenylate | 80 | Tyrosinal Adenylate | 37 |
| Â | Tyrosinal | 2 | SB-239629 | 18 |
| Â | Â | Â | Tryptophanyl Adenylate | 13 |
| Â | Â | Â | SB-243545 | 9 |
| Â | Â | Â | SB-284485 | 5 |
| Â | Â | Â | D-tyrosine | 1 |
Top scoring ligand, ignoring ATP, Mg++ and binding site occupancy | Tryptophanyl Adenylate | 36 | SB-239629 | 50 |
| Â | L-tryptophan | 22 | D-tyrosine | 31 |
| Â | D-tyrosine | 10 | Tyrosinal Adenylate | 1 |
| Â | SB-239629 | 7 | Tyrosinal | 1 |
| Â | Tyrosinal | 6 | Â | Â |
| Â | L-tryptophanamide | 1 | Â | Â |