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Ligand · XER

XER · 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid

XER, 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid (C7 H2 Cl F O2 S2, 236.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
XER
Formula
C7 H2 Cl F O2 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

XER in 2 structures; the first of them:

  • 8F4Q · rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors · XER A404 · binds LEU68, ILE72, TYR99, ALA102, LEU106, VAL125, LEU128, LEU129 and 5 more
  • 8F5J · human branched chain ketoacid dehydrogenase kinase in complex with inhibitors · XER A404 · binds LEU68, ILE72, TYR99, ALA102, LEU106, VAL125, LEU128, LEU129 and 5 more

Residues it binds most

LEU 4, ARG 4, ALA 3, ILE 2, TYR 4, HIS 3, LYS 2, PHE 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • K · Potassium ion
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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