Ligand · J81

J81 · (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)

J81, (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) (C31 H60 N2 O10, 620.8 g/mol), in the MolNFT structures on…

Component: J81
Formula: C31 H60 N2 O10
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

J81 in 1 structure; the first of them:

6C5M · Structure of glycolipid AGSA[8,9] in complex with mouse CD1D · J81 A302 · binds TYR73, SER76, PHE77, ARG79, ASP80, ILE98, VAL118, PHE120 and 9 more

Residues it binds most

VAL 1, ASP 1, LEU 1, PHE 1, TRP 1, ARG 1, GLY 1, ILE 1, SER 1, THR 1 (residue and the binding sites it lines).

Found with

PLM · Palmitic acid
BMA · beta-D-mannopyranose
FUC · alpha-L-fucopyranose
MAN · alpha-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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