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Ligand · XYJ

XYJ · 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl) ethyl]sulfonyl}propanamide

XYJ, 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl) ethyl]sulfonyl}propanamide (C16 H24 N6 O6 S2, 460.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
XYJ
Formula
C16 H24 N6 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XYJ in 2 structures; the first of them:

  • 7LG7 · Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345 · XYJ A201 · binds ALA21, ASP22, ILE23, ALA38, ALA39, ASN40, LYS44, GLY46 and 16 more
  • 7LG7 · Crystal structure of cov-2 NSP3 macrodomain complex with PARG345 · XYJ A201 · binds ALA21, ASP22, ILE23, ALA38, ALA39, ASN40, LYS44, GLY46 and 16 more

Residues it binds most

ALA 2, GLY 2, ILE 2, LEU 2, PHE 2, VAL 2, ASN 2, ASP 2, LYS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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