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Ligand · 81X

81X · 4-(aminomethyl)phthalazin-1(2H)-one

81X, 4-(aminomethyl)phthalazin-1(2H)-one (C9 H9 N3 O, 175.2 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 residues it binds most and the ligands…

Component
81X
Formula
C9 H9 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

81X in 2 structures; the first of them:

  • 7S0U · PRMT5/MEP50 crystal structure with MTA and phthalazi fragment bound · 81X A704 · binds LEU312, PHE327, LYS333, GLU435, LEU436, LEU437, GLU444, SER578 and 1 more
  • 7S0U · PRMT5/MEP50 crystal structure with mta and phthalazinone fragment bound · 81X A704 · binds PHE327, LYS333, GLU435, LEU437, GLU444, SER578, TRP579

Residues it binds most

GLU 2, LEU 2, LYS 2, PHE 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • MTA · 5'-deoxy-5'-methylthioadenosine
  • NA · Sodium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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