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Ligand · WDJ

WDJ · 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2, 6-dione

WDJ, 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2, 6-dione (C13 H19 N5 O4 S2, 373.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
WDJ
Formula
C13 H19 N5 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WDJ in 2 structures; the first of them:

  • 7KG7 · Structure of human PARG complexed with PARG-292 · WDJ A2001 · binds THR725, ILE726, GLU727, PHE738, VAL753, GLN754, ILE757, TYR792 and 8 more
  • 7KG7 · Structure of human parg complexed with parg-292 · WDJ A2001 · binds THR725, ILE726, GLU727, PHE738, VAL753, GLN754, TYR792, TYR795 and 5 more

Residues it binds most

PHE 2, TYR 2, GLY 2, ILE 2, THR 2, ASN 2, CYS 2, GLN 2, GLU 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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