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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.

From: Domain-based small molecule binding site annotation

  Ligand to TrpRS Hits Ligand to TyrRS Hits
Top scoring ligand, ignoring ATP and Mg++ Tryptophanyl Adenylate 80 Tyrosinal Adenylate 37
  Tyrosinal 2 SB-239629 18
    Tryptophanyl Adenylate 13
    SB-243545 9
    SB-284485 5
    D-tyrosine 1
Top scoring ligand, ignoring ATP, Mg++ and binding site occupancy Tryptophanyl Adenylate 36 SB-239629 50
  L-tryptophan 22 D-tyrosine 31
  D-tyrosine 10 Tyrosinal Adenylate 1
  SB-239629 7 Tyrosinal 1
  Tyrosinal 6   
  L-tryptophanamide 1