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Ligand · 4XP

4XP · 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)

4XP, 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) (C9 H14 N6, 206.2 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…

Component
4XP
Formula
C9 H14 N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

4XP in 2 structures; the first of them:

  • 5BXO · Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3 · 4XP C100 · binds TYR569, GLU2, ALA3, GLY6, ALA7, GLU8
  • 5BXO · Human tankyrase-2 in complex with macrocyclised extended peptide CP4N2M3 · 4XP C100 · binds TYR569, GLU2, ALA3, GLY6, ALA7, GLU8

Residues it binds most

ALA 4, GLU 4, GLY 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • ACE · Acetyl group
  • NH2 · Amino group

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