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Ligand · D21

D21 · (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate

D21, (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate (C37 H71 O8 P, 674.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
D21
Formula
C37 H71 O8 P
Class
ligand
Structures
4
PDB entries
3

Binding sites

D21 in 4 structures; the first of them:

  • 5WKG · Crystal Structure of Human CD1b in Complex with PA · D21 A411 · binds PHE10, VAL63, LEU66, ILE69, VAL72, TYR73, GLY76, PHE77 and 14 more
  • 7Y11 · Crystal structure of AtSFH5-Sec14 in complex with egg PA · D21 A401 · binds TYR163, TYR167, TYR178, GLU180, LEU182, PRO187, MET191, SER229 and 13 more
  • 8DE8 · Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPA… · D21 B401 · binds MET42, THR46, ALA49, ILE50, LEU53, LEU296, ARG297, ILE299 and 6 more
  • 5WKG · Crystal structure of human CD1B in complex with pa · D21 A411 · binds PHE10, VAL63, LEU66, ILE69, VAL72, TYR73, GLY76, PHE77 and 14 more

Residues it binds most

LEU 8, PHE 8, ILE 8, TYR 6, THR 6, VAL 3, ALA 6, MET 6, SER 8, LYS 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • CUY · tetracosyl octadecanoate
  • NA · Sodium ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • IOD · Iodide ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • K · Potassium ion
  • NI · Nickel (II) ion

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