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Ligand · I1Q

I1Q · 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

I1Q, 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (C9 H7 N3 S, 189.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
I1Q
Formula
C9 H7 N3 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

I1Q in 3 structures; the first of them:

  • 7R3L · PARP14 catalytic domain in complex with OUL40 · I1Q A1901 · binds PHE1681, HIS1682, GLY1683, TYR1714, ALA1716, TYR1721, SER1722, TYR1727 and 2 more
  • 7R3O · PARP15 catalytic domain in complex with OUL40 · I1Q A701 · binds PHE558, HIS559, GLY560, ALA583, TYR591, ALA593, TYR598, SER599 and 2 more
  • 7R3Z · Tankyrase 2 catalytic domain in complex with OUL40 · I1Q A1201 · binds PHE1030, HIS1031, GLY1032, TYR1050, GLY1053, TYR1060, PHE1061, ALA1062 and 4 more

Residues it binds most

TYR 5, GLY 5, PHE 5, ALA 5, HIS 5, SER 5, LEU 3, GLU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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