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Ligand · 0F1

0F1 · 3,6-dichloro-1-benzothiophene-2-carboxylic acid

0F1, 3,6-dichloro-1-benzothiophene-2-carboxylic acid (C9 H4 Cl2 O2 S, 247.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
0F1
Formula
C9 H4 Cl2 O2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

0F1 in 6 structures; the first of them:

  • 3VAD · Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in… · 0F1 A404 · binds LEU68, ILE72, TYR99, LEU106, VAL125, LEU128, LEU129, HIS132 and 4 more
  • 4E00 · Crystal structure of branched-chain alpha-ketoacid dehydrogenase… · 0F1 A402 · binds LEU68, ILE72, TYR99, ALA102, LEU106, VAL125, LEU128, LEU129 and 6 more
  • 4E01 · Crystal structure of branched-chain alpha-ketoacid dehydrogenase… · 0F1 A401 · binds LEU68, ILE72, TYR99, ALA102, LEU106, VAL125, LEU128, LEU129 and 6 more
  • 3VAD · Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in… · 0F1 A404 · binds LEU68, ILE72, TYR99, LEU106, VAL125, LEU128, LEU129, HIS132 and 4 more
  • 4E00 · Crystal structure of branched-chain alpha-ketoacid dehydrogenase… · 0F1 A402 · binds LEU68, ILE72, TYR99, ALA102, LEU106, VAL125, LEU128, LEU129 and 6 more
  • 4E01 · Crystal structure of branched-chain alpha-ketoacid dehydrogenase… · 0F1 A401 · binds LEU68, ILE72, TYR99, ALA102, LEU106, VAL125, LEU128, LEU129 and 6 more

Residues it binds most

LEU 8, ARG 8, ALA 8, ILE 8, VAL 8, HIS 8, TYR 8, PHE 4, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • MG · Magnesium ion
  • ADP · Adenosine-5'-diphosphate
  • ANP · Phosphoaminophosphonic acid-adenylate ester

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