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Ligand · 4GH

4GH · N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide

4GH, N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide (C50 H99 N O7, 826.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
4GH
Formula
C50 H99 N O7
Class
ligand
Structures
4
PDB entries
2

Binding sites

4GH in 4 structures; the first of them:

  • 3ARE · Ternary crystal structure of the mouse NKT TCR-CD1d-4'deoxy-alpha-galactosylceramide · 4GH A601 · binds PHE10, CYS12, GLN14, SER28, VAL30, HIS38, TRP40, ILE47 and 36 more
  • 3VWK · Ternary crystal structure of the human NKT TCR-CD1d-4'deoxy-alpha-galactosylceramide… · 4GH A303 · binds CYS12, LEU13, GLN14, GLY28, LEU29, ALA30, HIS38, TRP40 and 39 more
  • 3ARE · Ternary crystal structure of the mouse nkt TCR-CD1D-4'DEOXY-alpha- galactosylceramide · 4GH A601 · binds PHE10, CYS12, GLN14, SER28, VAL30, HIS38, TRP40, ILE47 and 36 more
  • 3VWK · Ternary crystal structure of the human nkt TCR-CD1D-4'DEOXY-alpha- galactosylceramide… · 4GH A303 · binds CYS12, LEU13, GLN14, GLY28, LEU29, ALA30, HIS38, TRP40 and 39 more

Residues it binds most

LEU 4, PHE 4, VAL 4, TRP 4, ASP 4, GLY 4, ALA 4, CYS 4, ILE 4, SER 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • MG · Magnesium ion
  • PEG · Di(hydroxyethyl)ether

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