GL1X · GenesisL1 explorer

Ligand · EPR

EPR · {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid

EPR, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (C15 H13 N O3 S2, 319.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
EPR
Formula
C15 H13 N O3 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

EPR in 4 structures; the first of them:

  • 6KIY · Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor… · EPR A302 · binds TRP21, TYR58, TRP86, HIS117, ARG203
  • 6KY6 · Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor… · EPR A302 · binds TRP21, TYR57, TYR58, TRP86, HIS117, TRP118, TRP118
  • 6KIY · Crystal structure of a thermostable aldo-keto reductase TM1743 in complex with inhibitor… · EPR A302 · binds TRP21, TYR58, TRP86, HIS117, ARG203
  • 6KY6 · Crystal structure of a thermostable aldo-keto reductase TM1743 in complexs with inhibitor… · EPR A302 · binds TRP21, TYR58, TRP86, HIS117, TRP118

Residues it binds most

TRP 6, TYR 6, HIS 6, ARG 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • CL · Chloride ion

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