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Ligand · R8V

R8V · (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one

R8V, (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one (C9 H9 N O2, 163.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
R8V
Formula
C9 H9 N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

R8V in 3 structures; the first of them:

  • 5R0C · PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08… · R8V B401 · binds PRO5, THR7, TYR68, GLN70, GLU83, LYS88, PHE89, ILE92 and 1 more
  • 5R0C · Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry C08… · R8V B401 · binds PRO5, THR7, TYR68, GLN70, GLU83, LYS88, PHE89, ILE92
  • 5RBS · Pandda analysis group deposition -- endothiapepsin changed state model for fragment… · R8V A401 · binds PRO61, SER62, ALA67, LYS68, LEU69, TYR90

Residues it binds most

LYS 3, PHE 2, PRO 3, TYR 3, GLN 2, GLU 2, ILE 2, THR 2, ALA 1, LEU 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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