GL1X · GenesisL1 explorer

Ligand · 81Q

81Q · [(2R)-1-[[(1S,2R,3R,4S,5S,6R)-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecoxy-propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

81Q, [(2R)-1-[[(1S,2R,3R,4S,5S,6R)-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecoxy-propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (C63 H115 O13 P, 1111.5 g/mol), in the MolNFT…

Component
81Q
Formula
C63 H115 O13 P
Class
ligand
Structures
1
PDB entries
1

Binding sites

81Q in 1 structure; the first of them:

  • 8IMY · Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate · 81Q T902 · binds LEU390, PHE356, VAL357, CYS360, ILE361, VAL364, ASN383, ASN385 and 14 more

Residues it binds most

LEU 1, ASN 1, ILE 1, CYS 1, PHE 1, VAL 1, ALA 1, ASP 1, MET 1, SER 1 (residue and the binding sites it lines).

Found with

  • 05E · 2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
  • 80T · [(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propan-2-yl] (Z)-octadec-9-enoate
  • 80Y · 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate
  • AJP · Digitonin
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
  • PA1 · 2-amino-2-deoxy-alpha-D-glucopyranose
  • Y01 · Cholesterol hemisuccinate
  • CA · Calcium ion
  • MG · Magnesium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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