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Ligand · TOH

TOH · (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid

TOH, (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid (C10 H8 O4, 192.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
TOH
Formula
C10 H8 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

TOH in 4 structures; the first of them:

  • 2IMD · Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase) · TOH A304 · binds LEU10, PRO12, PHE13, LEU39, LYS43, SER52, ASN53, ARG54 and 6 more
  • 2IME · 2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from… · TOH A304 · binds LEU10, PRO12, PHE13, LEU39, LYS43, SER52, ASN53, ARG54 and 6 more
  • 2IMD · Structure of semet 2-hydroxychromene-2-carboxylate isomerase (hcca isomerase) · TOH A304 · binds LEU10, PRO12, PHE13, LEU39, LYS43, SER52, ASN53, ARG54 and 6 more
  • 2IME · 2-hydroxychromene-2-carboxylate isomerase: a kappa class glutathione- S-transferase from… · TOH A304 · binds LEU10, PRO12, PHE13, LEU39, LYS43, SER52, ASN53, ARG54 and 6 more

Residues it binds most

LEU 4, PHE 4, ARG 4, ASN 4, LYS 4, PRO 4, SER 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • 2C2 · (2S)-2-hydroxy-2H-chromene-2-carboxylic acid
  • GSH · Glutathione
  • PO4 · Phosphate ion
  • CXS · 3-cyclohexyl-1-propylsulfonic acid

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