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Ligand · M3T

M3T · 3-methylbenzenethiol

M3T, 3-methylbenzenethiol (C7 H8 S, 124.2 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
M3T
Formula
C7 H8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

M3T in 2 structures; the first of them:

  • 4Q9Y · Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II · M3T A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, LEU141, VAL143, LEU198 and 2 more
  • 4Q9Y · Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II · M3T A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, LEU141, VAL143, LEU198 and 2 more

Residues it binds most

HIS 2, LEU 2, THR 2, VAL 2, GLN 2 (residue and the binding sites it lines).

Found with

  • MBO · Mercuribenzoic acid
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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