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Ligand · R3J

R3J · Benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl) ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl) propan-2-yl]carbamate

R3J, Benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl) ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl) propan-2-yl]carbamate (C24 H27 N5 O6, 481.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
R3J
Formula
C24 H27 N5 O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

R3J in 3 structures; the first of them:

  • 7N8F · The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex… · R3J A204 · binds ALA20, TYR24, LYS34, ALA37, THR38, HIS41, GLU80, ASP108 and 3 more
  • 6VLL · The crystal structure of the 2009/H1N1/CALIFORNIA pa endonuclease mutant I38T in complex… · R3J A201 · binds TYR24, GLU26, HIS41, GLU80, ASP108, GLU119, ILE120
  • 7N8F · The crystal structure of I38T mutant pa endonuclease (2009/H1N1/CALIFORNIA) in complex… · R3J A204 · binds ALA20, TYR24, LYS34, ALA37, THR38, HIS41, GLU80, ASP108 and 3 more

Residues it binds most

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

Found with

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

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