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Ligand · XDE

XDE · 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

XDE, 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol (C9 H13 N O3, 183.2 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…

Component
XDE
Formula
C9 H13 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XDE in 2 structures; the first of them:

  • 3PAH · Human phenylalanine hydroxylase catalytic domain dimer with bound adrenaline inhibitor · XDE A700 · binds LEU248, LEU249, SER251, PHE254, PRO281, HIS285, HIS290, TYR325 and 1 more
  • 3PAH · Human phenylalanine hydroxylase catalytic domain dimer with bound adrenaline inhibitor · XDE A700 · binds LEU248, LEU249, SER251, PHE254, PRO281, HIS285, HIS290, TYR325 and 1 more

Residues it binds most

HIS 2, LEU 2, GLU 2, PHE 2, PRO 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion

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