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Ligand · MJF

MJF · [(1R)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid

MJF, [(1R)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid (C18 H15 Cl O5, 346.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
MJF
Formula
C18 H15 Cl O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

MJF in 2 structures; the first of them:

  • 4AW0 · Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket · MJF A600 · binds LYS76, LYS115, ILE118, ILE119, VAL124, VAL127, THR128, ARG131 and 6 more
  • 4AW0 · Human PDK1 kinase domain in complex with allosteric compound PS182 bound to the pif-pocket · MJF A600 · binds LYS76, LYS115, ILE118, ILE119, VAL124, VAL127, THR128, ARG131 and 6 more

Residues it binds most

ILE 2, LYS 2, PHE 2, THR 2, VAL 2, ARG 2, GLN 2, LEU 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • DTD · Dithiane diol

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