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Ligand · PII

PII · 2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate

PII, 2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate (C42 H81 O13 P, 825.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
PII
Formula
C42 H81 O13 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

PII in 4 structures; the first of them:

  • 1GZQ · CD1b in complex with Phophatidylinositol · PII A1280 · binds PHE10, VAL12, HIS38, PHE49, LEU66, ILE69, PHE70, VAL72 and 25 more
  • 3QI9 · Crystal structure of mouse CD1d-alpha-phosphotidylinositol with mouse Valpha14-Vbeta6… · PII A405 · binds PHE10, VAL30, ILE47, TRP63, LEU66, MET69, PHE70, TYR73 and 31 more
  • 1GZQ · CD1B in complex with phophatidylinositol · PII A1280 · binds PHE10, VAL12, HIS38, PHE49, LEU66, ILE69, PHE70, VAL72 and 25 more
  • 3QI9 · Crystal structure of mouse CD1D-alpha-phosphotidylinositol with mouse VALPHA14-VBETA6… · PII A405 · binds PHE10, VAL30, ILE47, TRP63, LEU66, MET69, PHE70, TYR73 and 31 more

Residues it binds most

LEU 4, PHE 4, VAL 4, ILE 4, GLY 4, THR 4, ALA 4, ASP 2, CYS 4, TRP 2 (residue and the binding sites it lines).

Found with

  • D12 · Dodecane
  • TWT · Docosane
  • MG · Magnesium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • NO3 · Nitrate ion
  • GOL · Glycerol

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