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Ligand · DTX

DTX · Digitoxigenin

DTX, Digitoxigenin (C23 H34 O4, 374.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
DTX
Formula
C23 H34 O4
Class
ligand
Structures
6
PDB entries
4

Binding sites

DTX in 6 structures; the first of them:

  • 1LNM · Anticalin DIGA16 in complex with digitoxigenin · DTX A700 · binds GLN28, HIS35, TYR39, ALA45, TYR47, ARG58, HIS86, TYR88 and 9 more
  • 7W11 · glycosyltransferase · DTX A503 · binds PHE19, GLU21, HIS24, GLY81, MET82, TYR85, PHE190, LEU200
  • 7W1B · Glycosyltransferase · DTX A503 · binds HIS24, MET82, THR121, GLN142, PHE190, PHE196, VAL197, LEU200 and 4 more
  • 8INJ · Crystal structure of UGT74AN3-UDP-DIG · DTX A502 · binds PHE20, HIS25, ILE81, MET84, GLU85, MET88, SER125, GLN146 and 7 more
  • 7W11 · Glycosyltransferase · DTX A503 · binds PHE19, GLU21, HIS24, GLY81, MET82, TYR85, PHE190, LEU200
  • 7W1B · Glycosyltransferase · DTX A503 · binds HIS24, MET82, GLN142, VAL197, LEU200, ILE284

Residues it binds most

LEU 6, PHE 5, HIS 6, GLN 4, MET 5, TYR 3, VAL 4, GLU 4, GLY 3, ILE 3 (residue and the binding sites it lines).

Found with

  • UDP · Uridine-5'-diphosphate
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • GLC · alpha-D-glucopyranose

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