Ligand name: BETA-CAROTENE
PDB ligand accession: BCR
DrugBank: DB06755
PubChem: 5280489
ChEMBL: CHEMBL1293
InChI Key: OENHQHLEOONYIE-JLTXGRSLSA-N
SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Tetraterpenoids

List of PDB structures and/or AlphaFold models with target protein W8SUA3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7A4P	Download	Experimental	e7a4pA2 e7a4pB2 e7a4pB1 e7a4pG1 e7a4pA1 e7a4pA2 e7a4pB2 e7a4pF1	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK Photosystem II antenna protein-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF	LigPlot
6ZZX	Download	Experimental	e6zzxA2 e6zzxB2 e6zzxA1 e6zzxA2 e6zzxB2 e6zzxF1 e6zzxJ1 e6zzxB1 e6zzxG1 e6zzxB1 e6zzxB2 e6zzxL1 e6zzxI1	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF Subunit IX of photosystem I reaction centre, PsaJ Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK Photosystem II antenna protein-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem I reaction center subunit XI, PsaL Subunit VIII of photosystem I reaction centre, PsaI	LigPlot
6ZZY	Download	Experimental	e6zzyA2 e6zzyB2 e6zzyA1 e6zzyA2 e6zzyB2 e6zzyF1 e6zzyB1 e6zzyG1	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK	LigPlot