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Ligand · 49Y

49Y · (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide

49Y, (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide (C46 H87 N O9, 798.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
49Y
Formula
C46 H87 N O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

49Y in 2 structures; the first of them:

  • 4Y4K · Crystal structure of the mCD1d/EF77/iNKTCR ternary complex · 49Y A306 · binds PHE10, CYS12, GLN14, SER28, VAL30, HIS38, TRP40, ILE47 and 32 more
  • 4Y4K · Crystal structure of the MCD1D/EF77/INKTCR ternary complex · 49Y A306 · binds PHE10, CYS12, GLN14, SER28, VAL30, HIS38, TRP40, ILE47 and 32 more

Residues it binds most

LEU 2, PHE 2, TRP 2, VAL 2, ASP 2, GLY 2, ILE 2, PRO 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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