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Ligand · 3CE

3CE · 3-chlorobenzene-1,2-diol

3CE, 3-chlorobenzene-1,2-diol (C6 H5 Cl O2, 144.6 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
3CE
Formula
C6 H5 Cl O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3CE in 2 structures; the first of them:

  • 3I4V · Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP… · 3CE A282 · binds LEU77, VAL81, ILE102, GLY104, PRO105, TYR106, TYR162, TYR196 and 6 more
  • 3I4V · Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP… · 3CE A282 · binds LEU77, VAL81, ILE102, GLY104, PRO105, TYR106, TYR162, TYR196 and 6 more

Residues it binds most

TYR 2, HIS 2, ILE 2, ALA 2, ARG 2, GLN 2, GLY 2, LEU 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
  • FE · Fe (III) ion

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