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Ligand · ITH

ITH · 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione

ITH, 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione (C12 H20 N4 O4 +2, 284.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
ITH
Formula
C12 H20 N4 O4 +2
Class
ligand
Structures
2
PDB entries
1

Binding sites

ITH in 2 structures; the first of them:

  • 7ZBG · Human Topoisomerase II Beta ATPase ADP · ITH A507 · binds HIS58, THR65, TYR66, ASN179, TYR181, LEU185, GLN392
  • 7ZBG · Human topoisomerase II beta ATPase ADP · ITH A507 · binds HIS58, THR65, TYR66, TYR181, LEU185, GLN392

Residues it binds most

TYR 2, GLN 2, HIS 2, LEU 2, THR 2, ASN 1 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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