GL1X · GenesisL1 explorer

Ligand · S5U

S5U · 4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid

S5U, 4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid (C12 H14 N4 O3, 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…

Component
S5U
Formula
C12 H14 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

S5U in 2 structures; the first of them:

  • 5SPP · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · S5U A201 · binds ASP22, ILE23, GLY48, VAL49, ALA129, GLY130, ILE131, PHE132 and 2 more
  • 5SPP · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · S5U A201 · binds ASP22, ILE23, GLY48, VAL49, ALA129, GLY130, ILE131, PHE132 and 2 more

Residues it binds most

GLY 4, ALA 4, ASP 4, ILE 4, PHE 4, VAL 4, LEU 2 (residue and the binding sites it lines).

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