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Ligand · EM4

EM4 · N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl) amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide

EM4, N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl) amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (C52 H94 N2 O10, 907.3 g/mol), in the MolNFT structures on…

Component
EM4
Formula
C52 H94 N2 O10
Class
ligand
Structures
3
PDB entries
3

Binding sites

EM4 in 3 structures; the first of them:

  • 6C6E · Structure of glycolipid AGSA[26,6P] in complex with mouse CD1D · EM4 A305 · binds PHE10, CYS12, GLN14, SER28, VAL30, TRP63, LEU66, MET69 and 24 more
  • 6CX9 · Structure of alpha-GSA[16,6P] bound by CD1D and in complex with the VA14VB8.2 TCR · EM4 A308 · binds LEU66, TYR73, SER76, PHE77, ASP80, ILE81, LEU84, VAL85 and 21 more
  • 6CXE · Structure of alpha-GSA[26,6P] bound by CD1D and in complex with the VA14VB8.2 TCR · EM4 A306 · binds PRO29, ASN31, ASP94, ARG95, GLY96, PHE10, CYS12, GLN14 and 29 more

Residues it binds most

LEU 3, PHE 3, VAL 3, ASP 3, TRP 3, GLY 3, ILE 3, SER 3, CYS 3, PRO 2 (residue and the binding sites it lines).

Found with

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

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