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Ligand · 3NJ

3NJ · 4-fluorooxepine-2,7-dione

3NJ, 4-fluorooxepine-2,7-dione (C6 H3 F O3, 142.1 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 most and the ligands found with it.

Component
3NJ
Formula
C6 H3 F O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3NJ in 2 structures; the first of them:

  • 4WHR · Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas… · 3NJ B607 · binds THR12, GLY14, PRO15, TYR324, TYR408, TYR447, TRP449, ARG457 and 4 more
  • 4WHR · Anhydride reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas… · 3NJ B607 · binds THR12, GLY14, PRO15, TYR324, TYR408, TYR447, TRP449, ARG457 and 4 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
  • FE · Fe (III) ion
  • CL · Chloride ion
  • BME · Beta-mercaptoethanol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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