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Ligand · CIS

CIS · (15Z)-N-((1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide

CIS, (15Z)-N-((1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide (C48 H91 N O11 S, 890.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
CIS
Formula
C48 H91 N O11 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

CIS in 2 structures; the first of them:

  • 7RYN · CD1a-sulfatide-gdTCR complex · CIS A301 · binds PHE10, VAL12, TRP14, VAL28, SER29, GLY30, HIS38, THR39 and 30 more
  • 7RYN · CD1A-sulfatide-gdtcr complex · CIS A301 · binds PHE10, VAL12, TRP14, GLY30, HIS38, ILE47, TRP63, LEU66 and 20 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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