Ligand name: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
PDB ligand accession: PEF
DrugBank: DB01728
PubChem: 445468;11802774;
ChEMBL: n/a
InChI Key: SLKDGVPOSSLUAI-PGUFJCEWSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Glycerophospholipids
      • Subclass: Glycerophosphoethanolamines

List of PDB structures and/or AlphaFold models with target protein D2Z0P9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5B5M	Download	Experimental	e5b5mL1 e5b5mH1 e5b5mM1 e5b5mH1 e5b5mL1 e5b5mM1 e5b5mH2 e5b5mL1 e5b5mH1 e5b5mA1 e5b5m91 e5b5mx1 e5b5mt1 e5b5my1 e5b5mt1 e5b5mx1 e5b5my1 e5b5mt2 e5b5mx1 e5b5mt1 e5b5mm1 e5b5ml1 e5b5mt1 e5b5mm1 e5b5mp1 e5b5mn1	Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II reaction centre subunit H, transmembrane region Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II reaction centre subunit H, transmembrane region Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits SH3 Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits	LigPlot
7C52	Download	Experimental	e7c52H1	SH3	LigPlot
5Y5S	Download	Experimental	e5y5sL1 e5y5sM1 e5y5sH1 e5y5sF1 e5y5sI1 e5y5sH2 e5y5s51	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II reaction centre subunit H, transmembrane region Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits SH3 Bacterial light-harvesting complex subunits	LigPlot
4V8K	Download	Experimental	e4v8kAL1 e4v8kAM1 e4v8kAH1 e4v8kAH2 e4v8kBM1 e4v8kBH1	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like SH3 Photosystem II reaction centre subunit H, transmembrane region Bacterial photosystem II reaction centre L and M subunits-like SH3	LigPlot
3WMM	Download	Experimental	e3wmmL1 e3wmmM1 e3wmmH1 e3wmmH2	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like SH3 Photosystem II reaction centre subunit H, transmembrane region	LigPlot
5B5N	Download	Experimental	e5b5nL1 e5b5nH1 e5b5nM1 e5b5nH1 e5b5nL1 e5b5nM1 e5b5nH2 e5b5nL1 e5b5nH1 e5b5nA1 e5b5n91 e5b5nx1 e5b5nt2 e5b5ny1 e5b5nt2 e5b5nx1 e5b5ny1 e5b5nt1 e5b5nx1 e5b5nt2 e5b5nm1 e5b5nl1 e5b5nt2 e5b5nm1 e5b5np1 e5b5nn1	Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II reaction centre subunit H, transmembrane region Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II reaction centre subunit H, transmembrane region Bacterial photosystem II reaction centre L and M subunits-like SH3 Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits SH3 Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits Bacterial light-harvesting complex subunits	LigPlot