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Ligand · 45C

45C · 4,5-dichlorobenzene-1,2-diol

45C, 4,5-dichlorobenzene-1,2-diol (C6 H4 Cl2 O2, 179.0 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…

Component
45C
Formula
C6 H4 Cl2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

45C in 2 structures; the first of them:

  • 3I51 · Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP… · 45C A1 · binds LEU77, ASP80, VAL81, ILE102, GLU103, GLY104, PRO105, TYR106 and 7 more
  • 3I51 · Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP… · 45C A1 · binds LEU77, ASP80, VAL81, ILE102, GLU103, GLY104, PRO105, TYR106 and 7 more

Residues it binds most

TYR 2, HIS 2, ILE 2, ALA 2, ARG 2, ASP 2, GLU 2, GLY 2, LEU 2, PRO 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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