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 Q31NU0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6KIG	Download	Experimental	e6kigA1 e6kigB2 e6kigF1 e6kigJ1 e6kigA2 e6kigJ1 e6kigG1 e6kigH1 e6kigR1 e6kigT1 e6kigG2 e6kigT1 e6kige1 e6kigf2 e6kigj1 e6kigl1 e6kige2 e6kigl1	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 Subunit IX of photosystem I reaction centre, PsaJ 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 Subunit IX of photosystem I reaction centre, PsaJ 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 Subunit IX of photosystem I reaction centre, PsaJ	LigPlot
6KIF	Download	Experimental	e6kifA1 e6kifA2 e6kifB2 e6kifF1 e6kifJ1 e6kifA2 e6kifJ1 e6kifG1 e6kifH1 e6kifR1 e6kifT1 e6kifG2 e6kifT1 e6kife2 e6kiff1 e6kifj1 e6kifl1 e6kife1 e6kifl1	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 Subunit III of photosystem I reaction centre, PsaF Subunit IX of photosystem I reaction centre, PsaJ Photosystem II antenna protein-like Subunit IX of photosystem I reaction centre, PsaJ 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 Subunit IX of photosystem I reaction centre, PsaJ 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 Subunit IX of photosystem I reaction centre, PsaJ	LigPlot