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Ligand · 3N8

3N8 · 4-fluorobenzene-1,2-diol

3N8, 4-fluorobenzene-1,2-diol (C6 H5 F O2, 128.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
3N8
Formula
C6 H5 F O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

3N8 in 6 structures; the first of them:

  • 4WHQ · Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas… · 3N8 A302 · binds ASN152, ALA153, LEU158, ASN159, PRO164, ARG167, GLU168, ILE171
  • 4WHR · Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas… · 3N8 A301 · binds ASN152, ALA153, LEU158, ASN159, PRO164, ARG167, GLU168, ILE171
  • 4WHS · 4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 · 3N8 A301 · binds ASN152, ALA153, LEU158, ASN159, PRO164, ARG167, GLU168, ILE171

Residues it binds most

PRO 76, ARG 70, LEU 58, ILE 62, ASN 34, ALA 30, GLU 24, GLN 22, TYR 10, GLY 14 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • CL · Chloride ion
  • BME · Beta-mercaptoethanol
  • SO4 · Sulfate ion
  • 3N9 · (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one
  • 3NJ · 4-fluorooxepine-2,7-dione
  • BCT · Bicarbonate ion
  • MUC · [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
  • NA · Sodium ion
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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