Table 2 Polypharmacological targets identified by using Isoleucyl-tRNA synthetase-Mupirocin complex as the query
PDB Code | UniProt AC | EC number | Ligand | SCOP | CATH | Species | Gene Name | Description | RMSD | AR | SI |
|---|---|---|---|---|---|---|---|---|---|---|---|
1qu3A | P41972 | 6.1.1.5 | MRC, ZN | a.27.1.1, b.51.1.1, c.26.1.1 | 1.10.730.10, 3.90.740.10 | Staphylococcus aureus | ileS | Isoleucyl-tRNA synthetase | 0 | 1 | 100 |
1ffyA | P41972 | 6.1.1.5 | MRC, ZN | a.27.1.1, b.51.1.1, c.26.1.1 | - | Staphylococcus aureus | ileS | Isoleucyl-tRNA synthetase | 0.4 | 1 | 100 |
1qu2A | P41972 | 6.1.1.5 | MRC, ZN | a.27.1.1, b.51.1.1, c.26.1.1 | - | Staphylococcus aureus | ileS | Isoleucyl-tRNA synthetase | 0.4 | 1 | 100 |
1ileA | P56690 | 6.1.1.5 | ZN | a.27.1.1, b.51.1.1, c.26.1.1 | 1.10.730.10, 3.40.50.620, 3.90.740.10 | Thermus thermophilus | ileS | Isoleucyl-tRNA synthetase | 1.4 | 1 | 31.8 |
1jzqA | P56690 | 6.1.1.5 | ILA, ZN | a.27.1.1, b.51.1.1, c.26.1.1 | 1.10.730.10, 3.40.50.620, 3.90.740.10 | Thermus thermophilus | ileS | Isoleucyl-tRNA synthetase | 1.4 | 1 | 31.8 |
1jzsA | P56690 | 6.1.1.5 | MRC, ZN | a.27.1.1, b.51.1.1, c.26.1.1 | 1.10.730.10, 3.40.50.620, 3.90.740.10 | Thermus thermophilus | ileS | Isoleucyl-tRNA synthetase | 1.4 | 1 | 31.8 |
2d5bA | P23395 | 6.1.1.10 | ZN | a.27.1.1, c.26.1.1 | 1.10.730.10, 3.40.50.620 | Thermus thermophilus | metG | Methionyl-tRNA synthetase | 1.7 | 1 | 26.8 |
2d54A | P23395 | 6.1.1.10 | ZN | a.27.1.1, c.26.1.1 | 1.10.730.10, 3.40.50.620 | Thermus thermophilus | metG | Methionyl-tRNA synthetase | 1.7 | 1 | 26.8 |
1a8hA | P23395 | 6.1.1.10 | ZN | a.27.1.1, c.26.1.1 | 1.10.730.10, 2.170.220.10, 3.40.50.620 | Thermus thermophilus | metG | Methionyl-tRNA synthetase | 1.7 | 1 | 26.8 |
1woyA | P23395 | 6.1.1.10 | ZN | a.27.1.1, c.26.1.1 | 1.10.730.10, 2.170.220.10, 3.40.50.620 | Thermus thermophilus | metG | Methionyl-tRNA synthetase | 1.8 | 1 | 26.8 |
1li5A | P21888 | 6.1.1.16 | ZN | a.27.1.1, c.26.1.1 | 3.40.50.620 | Escherichia coli | cysS | Cysteinyl-tRNA synthetase | 1.9 | 0.99 | 30.5 |
1li7A | P21888 | 6.1.1.16 | CYS, ZN | a.27.1.1, c.26.1.1 | 3.40.50.620 | Escherichia coli | cysS | Cysteinyl-tRNA synthetase | 1.9 | 0.99 | 30.5 |
1li7B | P21888 | 6.1.1.16 | CYS, ZN | a.27.1.1, c.26.1.1 | 3.40.50.620 | Escherichia coli | cysS | Cysteinyl-tRNA synthetase | 1.9 | 0.95 | 30.5 |
1li5B | P21888 | 6.1.1.16 | ZN | a.27.1.1, c.26.1.1 | 3.40.50.620 | Escherichia coli | cysS | Cysteinyl-tRNA synthetase | 2 | 0.95 | 30.5 |
1wkbA | O58698 | 6.1.1.4 | SO4 | - | 1.10.730.10, 3.40.50.620, 3.90.740.10 | Pyrococcus horikoshii | leuS | Leucyl-tRNA synthetase | 2 | 0.99 | 22.3 |
1wz2A | O58698 | 6.1.1.4 | - | - | 1.10.730.10, 3.40.50.620, 3.90.740.10 | Pyrococcus horikoshii | leuS | Leucyl-tRNA synthetase | 2 | 0.99 | 21.7 |
1wz2B | O58698 | 6.1.1.4 | - | - | 1.10.730.10, 3.40.50.620, 3.90.740.10 | Pyrococcus horikoshii | leuS | Leucyl-tRNA synthetase | 2 | 0.99 | 21.7 |
2ct8A | O67298 | 6.1.1.10 | MSP | - | 3.40.50.620 | Aquifex aeolicus | metG | Methionyl-tRNA synthetase | 2 | 0.99 | 25.2 |
2ct8B | O67298 | 6.1.1.10 | MSP | - | 3.40.50.620 | Aquifex aeolicus | metG | Methionyl-tRNA synthetase | 2 | 0.99 | 25.2 |
2csxA | O67298 | 6.1.1.10 | - | - | 3.40.50.620 | Aquifex aeolicus | metG | Methionyl-tRNA synthetase | 2 | 0.99 | 25.2 |