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Ligand · D3D

D3D · (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate

D3D, (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate (C40 H77 O10 P, 749.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
D3D
Formula
C40 H77 O10 P
Class
ligand
Structures
3
PDB entries
2

Binding sites

D3D in 3 structures; the first of them:

  • 5WL1 · Crystal Structure of Human CD1b in Complex with PG · D3D A423 · binds PHE10, LEU66, GLU68, ILE69, VAL72, TYR73, GLY76, PHE77 and 10 more
  • 5WKI · Crystal structure of PG90 TCR-CD1B-pg complex · D3D D308 · binds LEU66, ILE69, VAL72, TYR73, GLY76, PHE77, ALA100, LEU114 and 19 more
  • 5WL1 · Crystal structure of human CD1B in complex with pg · D3D A423 · binds PHE10, LEU66, GLU68, ILE69, VAL72, TYR73, GLY76, PHE77 and 10 more

Residues it binds most

ILE 3, VAL 3, LEU 3, TYR 3, ALA 3, PHE 3, GLY 3, MET 3, THR 3, ARG 1 (residue and the binding sites it lines).

Found with

  • CUY · tetracosyl octadecanoate
  • NA · Sodium ion
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • IOD · Iodide ion
  • ACT · Acetate ion

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