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Ligand · A1D5Q

A1D5Q · [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate

A1D5Q, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate (C43 H81 O13 P, 837.1 g/mol), in the MolNFT structures on GenesisL1…

Component
A1D5Q
Formula
C43 H81 O13 P
Class
ligand
Structures
3
PDB entries
3

Binding sites

A1D5Q in 3 structures; the first of them:

  • 8XXU · Cryo-EM Structure of the Prostaglandin D2 Receptor 2 Coupled to G Protein · A1D5Q A401 · binds TRP69, SER123, LEU127, ASP128, LEU131, TRP138, HIS142, ARG143 and 6 more
  • 8XXV · Cryo-EM Structure of the Prostaglandin D2 Receptor 2-indomethacin Coupled to G Protein · A1D5Q A401 · binds PHE120, SER123, ALA124, LEU127, ASP128, LEU131, TRP138, HIS142 and 9 more
  • 9IYB · Cryo-EM Structure of the Prostaglandin D2 Receptor 2-PGD2 Coupled to G Protein · A1D5Q A401 · binds TRP69, PHE120, SER123, ALA124, LEU127, ASP128, TRP138, HIS142 and 8 more

Residues it binds most

LEU 3, ALA 3, TRP 3, VAL 3, ASP 3, ARG 3, HIS 3, LYS 3, SER 3, ILE 2 (residue and the binding sites it lines).

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