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Ligand · PCJ

PCJ · (2R)-3-{[(2S)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate

PCJ, (2R)-3-{[(2S)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate (C54 H105 N O6 S, 896.5 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues…

Component
PCJ
Formula
C54 H105 N O6 S
Class
ligand
Structures
5
PDB entries
4

Binding sites

PCJ in 5 structures; the first of them:

  • 2Z81 · Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated… · PCJ A1 · binds LEU261, PHE266, LEU270, LEU273, VAL282, PHE284, LEU289, LEU306 and 17 more
  • 7V8L · LolCDE with bound RcsF in nanodiscs · PCJ C401 · binds VAL40, GLY44, ALA47, MET48, PHE51, TYR260, MET261, ASP264 and 31 more
  • 8H1R · Crystal structure of LptDE-YifL complex · PCJ A1001 · binds LEU300, VAL302, PHE305, VAL307, THR310, PRO311, TYR312, ILE313 and 12 more
  • 2Z7X · Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated… · PCJ C1 · binds LEU266, MET270, LEU273, LEU282, PHE284, PRO306, VAL309, LEU312 and 37 more
  • 2Z81 · Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated… · PCJ A1 · binds LEU261, PHE266, LEU270, LEU273, VAL282, PHE284, LEU289, LEU306 and 17 more

Residues it binds most

LEU 6, PHE 6, VAL 6, ILE 6, MET 2, TYR 4, GLY 4, PRO 5, SER 6, THR 4 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose

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