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Ligand · S6Y

S6Y · 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid

S6Y, 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid (C9 H12 N2 O3, 196.2 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
S6Y
Formula
C9 H12 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

S6Y in 2 structures; the first of them:

  • 6W0T · Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments · S6Y A201 · binds ALA22, ALA23, ASN24, GLY30, ASP31, CYS34, ALA68, VAL69 and 9 more
  • 6W0T · Co-crystal structures of chikv NSP3 macrodomain with pyrimidone fragments · S6Y A201 · binds ALA22, ALA23, ASN24, CYS34, ALA68, VAL69, GLY70, LEU108 and 6 more

Residues it binds most

ALA 8, GLY 8, LEU 8, VAL 8, SER 8, ASN 8, CYS 8, THR 8, TYR 8, ASP 7 (residue and the binding sites it lines).

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