GL1X · GenesisL1 explorer

Ligand · 3N9

3N9 · (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one

3N9, (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one (C6 H5 F O4, 160.1 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…

Component
3N9
Formula
C6 H5 F O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3N9 in 2 structures; the first of them:

  • 4WHQ · Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas… · 3N9 B612 · binds THR12, GLY14, PRO15, TYR16, TYR324, TYR408, TYR447, TRP449 and 5 more
  • 4WHQ · Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase… · 3N9 B612 · binds THR12, GLY14, PRO15, TYR16, TYR324, TYR408, TYR447, TRP449 and 5 more

Residues it binds most

TYR 2, HIS 2, ARG 2, GLN 2, GLY 2, ILE 2, PRO 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • 3N8 · 4-fluorobenzene-1,2-diol
  • BCT · Bicarbonate ion
  • FE · Fe (III) ion
  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • BME · Beta-mercaptoethanol
  • GOL · Glycerol

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