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Table 2 Polypharmacological targets identified by using Isoleucyl-tRNA synthetase-Mupirocin complex as the query

From: Space-related pharma-motifs for fast search of protein binding motifs and polypharmacological targets

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