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Ligand · ESJ

ESJ · (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

ESJ, (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (C11 H8 N2 O3 S2, 280.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
ESJ
Formula
C11 H8 N2 O3 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

ESJ in 4 structures; the first of them:

  • 4D1X · CDK2 in complex with Luciferin · ESJ A1299 · binds ILE10, GLY13, THR14, VAL18, ALA31, LYS33, VAL64, PHE80 and 9 more
  • 6K4D · Ancestral luciferase AncLamp in complex with ATP and D-luciferin · ESJ A602 · binds ARG217, ASN228, HIS244, GLY245, PHE246, THR250, LEU285, ALA312 and 13 more
  • 4D1X · CDK2 in complex with luciferin · ESJ A1299 · binds ILE10, GLY13, THR14, VAL18, ALA31, LYS33, VAL64, PHE80 and 9 more
  • 6K4D · Ancestral luciferase anclamp in complex with ATP and D-luciferin · ESJ A602 · binds ARG217, ASN228, HIS244, GLY245, PHE246, THR250, LEU285, ALA312 and 13 more

Residues it binds most

GLY 4, ALA 4, LEU 4, THR 4, PHE 4, ARG 2, ASN 4, GLN 4, ILE 4, LYS 2 (residue and the binding sites it lines).

Found with

  • D4F · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

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