Ligand · PWW

PWW · 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid

PWW, 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid (C13 H14 N2 O4, 262.3 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: PWW
Formula: C13 H14 N2 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

PWW in 2 structures; the first of them:

6YX2 · Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid · PWW C901 · binds VAL677, LEU678, ARG679, GLU703, THR802, ARG803
6YX2 · Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid · PWW C901 · binds VAL677, LEU678, GLU703, THR802

Residues it binds most

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

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