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Ligand · 31S

31S · (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid

31S, (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid (C23 H19 Cl O2, 362.9 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 binds…

Component
31S
Formula
C23 H19 Cl O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

31S in 2 structures; the first of them:

  • 4CT1 · Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the… · 31S A600 · binds LYS76, LYS111, VAL113, LYS115, ILE124, VAL127, GLU130, LYS131 and 6 more
  • 4CT1 · Human PDK1-pkczeta kinase chimera in complex with allosteric compound PS315 bound to the… · 31S A600 · binds LYS76, LYS111, VAL113, LYS115, ILE124, VAL127, GLU130, LYS131 and 6 more

Residues it binds most

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

Found with

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

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