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Ligand · J66

J66 · 2-oxidanylisoindole-1,3-dione

J66, 2-oxidanylisoindole-1,3-dione (C8 H5 N O3, 163.1 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 and the ligands found…

Component
J66
Formula
C8 H5 N O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

J66 in 3 structures; the first of them:

  • 7EJI · Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl… · J66 A305 · binds SER143, ILE144, GLU145, TYR156, PRO190, LEU195, VAL196, PHE206
  • 7EJH · Crystal structure of kred mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and… · J66 A303 · binds SER143, ILE144, GLU145, TYR156, PRO190, LEU195, VAL196, PHE206
  • 7EJI · Crystal structure of kred F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl… · J66 A305 · binds SER143, ILE144, GLU145, TYR156, PRO190, LEU195, VAL196, PHE206

Residues it binds most

PRO 8, GLU 8, ILE 8, PHE 8, SER 8, TYR 8, LEU 7, VAL 7, GLN 1, GLY 1 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • MG · Magnesium ion
  • J69 · methyl 2-methylprop-2-enoate
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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