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Ligand · D1H

D1H · 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

D1H, 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) (C16 H18 N8 O4, 386.4 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
D1H
Formula
C16 H18 N8 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

D1H in 2 structures; the first of them:

  • 2IUZ · Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine · D1H A1440 · binds TRP52, PHE76, GLY136, TRP137, THR138, TYR139, GLU177, MET243 and 5 more
  • 2IUZ · Crystal structure of aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine · D1H A1440 · binds TRP52, PHE76, GLY136, TRP137, THR138, TYR139, GLU177, MET243 and 5 more

Residues it binds most

TRP 4, TYR 4, ARG 4, ASP 4, GLU 4, GLY 4, MET 4, PHE 4, THR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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