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Ligand · A8K

A8K · 4-(4-hydroxyphenyl)sulfanylphenol

A8K, 4-(4-hydroxyphenyl)sulfanylphenol (C12 H10 O2 S, 218.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
A8K
Formula
C12 H10 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

A8K in 2 structures; the first of them:

  • 5OS5 · Crystal structure of aurora-a kinase in complex with an allosterically binding fragment · A8K A404 · binds GLU175, LEU178, ARG179, VAL182, GLU183, TYR199, VAL206
  • 5Z4H · Bacterial gyrb ATPase domain in complex with a chemical fragment · A8K A303 · binds VAL43, ASN46, ALA47, VAL71, GLN72, ASP73, ILE78, ALA91 and 6 more

Residues it binds most

VAL 3, ALA 2, ILE 2, GLU 2, LEU 3, ASN 2, ASP 2, GLN 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • AX7 · 1H-benzimidazol-2-amine
  • MG · Magnesium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion

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