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Ligand · YAD

YAD · (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate

YAD, (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate (C24 H25 N5 O5, 463.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
YAD
Formula
C24 H25 N5 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

YAD in 4 structures; the first of them:

  • 7LP7 · The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex… · YAD A201 · binds ALA20, TYR24, GLU26, LYS34, ILE38, HIS41, GLU80, LEU106 and 5 more
  • 7LP8 · The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex… · YAD A201 · binds ALA20, TYR24, GLU26, THR38, HIS41, GLU80, LEU106, ASP108 and 5 more
  • 7LP7 · The crystal structure of the wild type pa endonuclease (2009/H1N1/CALIFORNIA) in complex… · YAD A201 · binds ALA20, TYR24, GLU26, ILE38, HIS41, GLU80, ASP108, GLU119 and 3 more
  • 7LP8 · The crystal structure of I38T mutant pa endonuclease (2009/H1N1/CALIFORNIA) in complex… · YAD A201 · binds TYR24, GLU26, THR38, HIS41, GLU80, ASP108, GLU119, ILE120 and 3 more

Residues it binds most

GLU 4, TYR 4, ILE 4, ASP 4, GLY 4, HIS 4, ALA 3, LYS 3, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

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

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