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Ligand · 9X6

9X6 · thiodiglycolic acid

9X6, thiodiglycolic acid (C4 H6 O4 S, 150.2 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
9X6
Formula
C4 H6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9X6 in 2 structures; the first of them:

  • 4BZS · Human angiotenisn converting enzyme N-domain in complex with K-26 · 9X6 A1613 · binds GLN259, HIS331, PHE435, LYS489, HIS491, TYR498, TYR501
  • 4BZS · Human angiotenisn converting enzyme N-domain in complex with K-26 · 9X6 A1613 · binds GLN259, HIS331, PHE435, LYS489, HIS491, TYR498, TYR501

Residues it binds most

HIS 4, TYR 4, GLN 4, LYS 4, PHE 4, THR 2 (residue and the binding sites it lines).

Found with

  • K26 · N-acetyl-L-ile-L-tyr-(R)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • P6G · Hexaethylene glycol
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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