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Ligand · 0IL

0IL · (3R)-3-(tetradecanoyloxy)tetradecanoic acid

0IL, (3R)-3-(tetradecanoyloxy)tetradecanoic acid (C28 H54 O4, 454.7 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
0IL
Formula
C28 H54 O4
Class
ligand
Structures
5
PDB entries
5

Binding sites

0IL in 5 structures; the first of them:

  • 8WO1 · Cryo-EM Structure of Human TLR4/MD-2/DLAM5 Complex · 0IL C203 · binds ILE46, LEU61, ILE63, TYR65, LEU71, LEU74, PHE76, GLU92 and 6 more
  • 8WQT · Cryo-EM Structure of Mouse TLR4/MD-2/DLAM1 complex · 0IL B709 · binds ILE52, ILE80, ARG90, PHE121, ILE124, PHE126, TYR131, CYS133 and 4 more
  • 8WRY · Cryo-EM Structure of Mouse TLR4/MD-2/DLAM3 Complex · 0IL C204 · binds ILE32, ILE52, LEU54, ILE80, ARG90, PHE121, ILE124, PHE126 and 4 more
  • 8WSA · Cryo-EM Structure of Mouse TLR4/MD-2/DLAM5 Complex · 0IL C204 · binds ILE46, VAL63, PHE65, PHE76, LEU78, GLU92, LEU94, TYR102 and 5 more
  • 8WTA · Cryo-EM Structure of Human TLR4/MD-2/DLAM3 Complex · 0IL C203 · binds ILE46, LEU61, ILE63, TYR65, PHE76, GLU92, TYR102, PHE104 and 2 more

Residues it binds most

PHE 10, ILE 10, LEU 8, TYR 10, ARG 4, GLU 8, SER 3, VAL 3, CYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • 2IL · (3R)-3-(dodecanoyloxy)tetradecanoic acid
  • GP4 · 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • A1L01 · (3~{S})-3-decanoyloxytetradecanoic acid
  • BMA · beta-D-mannopyranose
  • X6N · [(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate
  • XIQ · 2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one
  • X6Z · [(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

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