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Ligand · PWQ

PWQ · 4-[[2-(4-oxidanylidenebutanoyl) hydrazinyl]methyl]benzoic acid

PWQ, 4-[[2-(4-oxidanylidenebutanoyl) hydrazinyl]methyl]benzoic acid (C12 H12 N2 O4, 248.2 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
PWQ
Formula
C12 H12 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

PWQ in 2 structures; the first of them:

  • 6YX0 · Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid · PWQ C901 · binds VAL677, LEU678, ARG679, GLU703, HIS735, THR802, ARG803
  • 6YX0 · Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid · PWQ C901 · binds VAL677, LEU678, ARG679, THR802

Residues it binds most

ARG 4, LEU 4, THR 4, VAL 4, HIS 3, GLU 2 (residue and the binding sites it lines).

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