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Ligand · 2XE

2XE · 4-bromobenzenethiol

2XE, 4-bromobenzenethiol (C6 H5 Br S, 189.1 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
2XE
Formula
C6 H5 Br S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XE in 2 structures; the first of them:

  • 4Q03 · Second-site screening of K-Ras in the presence of covalently attached first-site ligands · 2XE A203 · binds LYS5, LEU6, VAL7, CYS39, TYR40, ASP54, ILE55, LEU56 and 3 more
  • 4Q03 · Second-site screening of K-RAS in the presence of covalently attached first-site ligands · 2XE A203 · binds LYS5, LEU6, VAL7, CYS39, TYR40, ASP54, ILE55, LEU56 and 3 more

Residues it binds most

LEU 2, TYR 2, ASP 2, CYS 2, GLY 2, ILE 2, LYS 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion

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