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Ligand · 3WG

3WG · Trans-nonachlor

3WG, Trans-nonachlor (C10 H5 Cl9, 444.2 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
3WG
Formula
C10 H5 Cl9
Class
ligand
Structures
2
PDB entries
1

Binding sites

3WG in 2 structures; the first of them:

  • 4X1G · Crystal structure of the hPXR-LBD in complex with the synthetic estrogen… · 3WG A502 · binds LEU209, VAL211, MET243, MET246, SER247, PHE281, GLN285, PHE288 and 5 more
  • 4X1G · Crystal structure of the hpxr-lbd in complex with the synthetic estrogen… · 3WG A502 · binds LEU209, VAL211, MET243, MET246, SER247, PHE281, GLN285, PHE288 and 5 more

Residues it binds most

MET 2, HIS 2, PHE 2, GLN 2, LEU 2, SER 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 3WF · Ethinyl estradiol
  • IPA · Isopropyl alcohol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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