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Ligand · UE8

UE8 · 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1, 2,3,7-tetrahydro-6H-purin-6-one

UE8, 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1, 2,3,7-tetrahydro-6H-purin-6-one (C10 H12 N4 O2 S, 252.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
UE8
Formula
C10 H12 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

UE8 in 2 structures; the first of them:

  • 7NI3 · Crystal structure of native human myeloperoxidase in complex with cpd 3 · UE8 C602 · binds PHE99, THR100, GLU102, ARG239, GLU242, PHE366, PHE407, MET411
  • 7NI3 · Crystal structure of native human myeloperoxidase in complex with cpd 3 · UE8 C602 · binds PHE99, THR100, GLU102, ARG239, GLU242, PHE366, PHE407, MET411

Residues it binds most

PHE 4, GLU 4, ARG 4, THR 4, MET 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CA · Calcium ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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