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Ligand · PWN

PWN · 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene) methyl]benzoic acid

PWN, 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene) 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…

Component
PWN
Formula
C12 H12 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

PWN in 2 structures; the first of them:

  • 6YWZ · Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid · PWN B802 · binds VAL677, LEU678, ARG679, GLY680, LYS682, ALA683, GLY734, HIS735 and 2 more
  • 6YWZ · Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid · PWN B802 · binds LEU678, ARG679, GLY680, LYS682, ALA683, HIS735, THR803

Residues it binds most

GLY 4, ARG 4, ALA 4, HIS 4, LEU 4, THR 4, LYS 3, GLN 2, VAL 1 (residue and the binding sites it lines).

Found with

  • PEG · Di(hydroxyethyl)ether

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