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Ligand · DA8

DA8 · octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside

DA8, octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside (C20 H38 O9, 422.5 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (9 PDB entries). Every binding site with its residues within 4.5 Å…

Component
DA8
Formula
C20 H38 O9
Class
ligand
Structures
9
PDB entries
9

Binding sites

DA8 in 9 structures; the first of them:

  • 5C1H · Crystal structure of ABBB + UDP + DI · DA8 A403 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more
  • 5C36 · Crystal structure of GTA + UDP-C-Gal + DI · DA8 A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 5C38 · Crystal structure of AABB + UDP-C-Gal + DI · DA8 A403 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, MET266, TRP300 and 5 more
  • 5C3B · Crystal structure of ABBA + UDP-C-Gal (long soak) + DI · DA8 A402 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 5 more
  • 5C47 · Crystal structure of ABBB + UDP-C-Gal (long soak) + DI · DA8 A402 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 5 more
  • 5C48 · Crystal structure of GTB + UDP-C-Gal + DI · DA8 A402 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 5 more
  • 5C4B · Crystal structure of GTA + UDP-Glc + DI · DA8 A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 5C4C · Crystal structure of ABBB + UDP-Glc + DI · DA8 A403 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more
  • 5C4F · Crystal structure of AABB + UDP-Glc + DI · DA8 A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more

Residues it binds most

ALA 9, ASP 9, GLU 9, HIS 9, LEU 9, PHE 9, PRO 9, THR 9, TRP 9, TYR 9 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • URM · (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
  • UPG · Uridine-5'-diphosphate-glucose
  • PG0 · 2-(2-methoxyethoxy)ethanol
  • PGE · Triethylene glycol
  • GDU · Galactose-uridine-5'-diphosphate
  • UDP · Uridine-5'-diphosphate

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