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Ligand · 4H2

4H2 · 4-methylpyridine-2(1H)-thione

4H2, 4-methylpyridine-2(1H)-thione (C6 H7 N S, 125.2 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…

Component
4H2
Formula
C6 H7 N S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4H2 in 2 structures; the first of them:

  • 4Q90 · Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II · 4H2 A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU141, LEU198 and 3 more
  • 4Q90 · Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II · 4H2 A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU141, LEU198 and 3 more

Residues it binds most

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

Found with

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

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