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Ligand · DEH

DEH · 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium

DEH, 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium (C19 H18 N O4 +1, 324.4 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…

Component
DEH
Formula
C19 H18 N O4 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

DEH in 2 structures; the first of them:

  • 3GSY · Structure of berberine bridge enzyme in complex with dehydroscoulerine · DEH A2 · binds TYR106, TRP165, CYS166, MET182, SER280, LEU282, LEU295, PHE351 and 6 more
  • 3GSY · Structure of berberine bridge enzyme in complex with dehydroscoulerine · DEH A2 · binds TYR106, TRP165, CYS166, MET182, SER280, LEU282, LEU295, PHE351 and 6 more

Residues it binds most

PHE 2, LEU 2, ALA 2, ASN 2, ASP 2, CYS 2, GLU 2, MET 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • MG · Magnesium ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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