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Ligand · QPY

QPY · Benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl) ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate

QPY, Benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl) ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate (C24 H25 N9 O5, 519.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries).…

Component
QPY
Formula
C24 H25 N9 O5
Class
ligand
Structures
3
PDB entries
2

Binding sites

QPY in 3 structures; the first of them:

  • 6V53 · The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with… · QPY A201 · binds ALA20, TYR24, GLU26, ALA37, THR38, HIS41, GLU61, LEU87 and 5 more
  • 6V53 · The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with… · QPY A201 · binds TYR24, GLU26, ALA37, THR38, HIS41, GLU61, ASP89, GLU100 and 2 more
  • 6V56 · The crystal structure of the 2009 H1N1 pa endonuclease wild type in complex with… · QPY A201 · binds TYR24, GLU26, LYS34, ILE38, HIS41, GLU61, LEU87, ASP89 and 3 more

Residues it binds most

GLU 3, TYR 3, ILE 3, ALA 2, ASP 3, HIS 3, LEU 2, THR 2, GLY 1, LYS 1 (residue and the binding sites it lines).

Found with

  • QQ4 · Hexa Vinylpyrrolidone K15
  • MN · Manganese (II) ion
  • SO4 · Sulfate ion

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