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Ligand · IT2

IT2 · morpholine-4-carbodithioic acid

IT2, morpholine-4-carbodithioic acid (C5 H9 N O S2, 163.3 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 it binds most and the ligands found…

Component
IT2
Formula
C5 H9 N O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IT2 in 2 structures; the first of them:

  • 3P5A · Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate · IT2 A263 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, VAL143, LEU198 and 3 more
  • 3P5A · Human carbonic anhydrase complexed with sodium morpholinocarbodithioate · IT2 A263 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, VAL143, LEU198 and 3 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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