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Ligand · Q86

Q86 · 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Q86, 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one (C12 H13 N3 O, 215.2 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…

Component
Q86
Formula
C12 H13 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q86 in 2 structures; the first of them:

  • 3K4F · X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with… · Q86 A301 · binds HIS25, PHE33, MET34, PHE37, PHE47, VAL50, LEU54, ARG136 and 6 more
  • 3K4F · X-ray crystal structure of human heme oxygenase-1 in complex with… · Q86 A301 · binds HIS25, PHE33, MET34, PHE37, PHE47, VAL50, LEU54, ARG136 and 6 more

Residues it binds most

PHE 4, GLY 4, LEU 4, ARG 4, ASP 4, MET 4, VAL 4, HIS 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • HEZ · Hexane-1,6-diol

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