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Ligand · 3M8

3M8 · 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid

3M8, 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid (C9 H8 F N O4 S2, 277.3 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…

Component
3M8
Formula
C9 H8 F N O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3M8 in 2 structures; the first of them:

  • 4WH9 · Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor · 3M8 A601 · binds TYR382, PHE386, ASP397, LEU398, CYS484, ARG485, ARG488, ARG492 and 1 more
  • 4WH9 · Structure of the CDC25B phosphatase catalytic domain with bound inhibitor · 3M8 A601 · binds TYR382, PHE386, ASP397, LEU398, CYS484, ARG485, ARG488, ARG492 and 1 more

Residues it binds most

ARG 2, ASP 2, CYS 2, LEU 2, MET 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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