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 D0FXX2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PIW	Download	Experimental	e7piwC1 e7piwK1 e7piwc1 e7piwk1 e7piwC11 e7piwK11 e7piwc11 e7piwk11	Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK	LigPlot
7PI5	Download	Experimental	e7pi5C1 e7pi5K1 e7pi5Z1 e7pi5c1 e7pi5k1 e7pi5z1	Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like	LigPlot
7PNK	Download	Experimental	e7pnkC1 e7pnkK1 e7pnkZ1 e7pnkc1 e7pnkk1 e7pnkz1	Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like	LigPlot
7PIN	Download	Experimental	e7pinC1 e7pinK1 e7pinZ1 e7pinc1 e7pink1 e7pinz1 e7pinC11 e7pinK11 e7pinZ11 e7pinc11 e7pink11 e7pinz11	Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like	LigPlot
7PI0	Download	Experimental	e7pi0C1 e7pi0K1 e7pi0Z1 e7pi0V1 e7pi0C1 e7pi0K1 e7pi0Z1 e7pi0v1 e7pi0c1 e7pi0k1 e7pi0z1 e7pi0c1 e7pi0k1 e7pi0z1	Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II reaction center protein ycf12 Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II reaction center protein ycf12 Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like Photosystem II antenna protein-like Photosystem II reaction center protein K, PsbK PsbZ-like	LigPlot