GL1X · GenesisL1 explorer

Ligand · H4S

H4S · N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide

H4S, N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide (C50 H100 N2 O7, 841.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
H4S
Formula
C50 H100 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

H4S in 2 structures; the first of them:

  • 3RTQ · Structure of the mouse CD1d-HS44-iNKT TCR complex · H4S A293 · binds PHE10, CYS12, GLN14, SER28, VAL30, HIS38, TRP40, ILE47 and 38 more
  • 3RTQ · Structure of the mouse CD1D-HS44-inkt TCR complex · H4S A293 · binds PHE10, CYS12, GLN14, SER28, VAL30, HIS38, TRP40, ILE47 and 38 more

Residues it binds most

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

Found with

  • BMA · beta-D-mannopyranose
  • FUL · beta-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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