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 Q9XQR6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XNL	Download	Experimental	e5xnlA1 e5xnlb1 e5xnlB1 e5xnlt1 e5xnlB1 e5xnlH1 e5xnlX1 e5xnlA1 e5xnlb1 e5xnlT1 e5xnla1 e5xnlB1 e5xnlb1 e5xnlT1 e5xnlb1 e5xnlh1 e5xnlx1 e5xnla1 e5xnlB1 e5xnlt1	Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Photosystem II antenna protein-like Photosystem II 10 kDa phosphoprotein PsbH Photosystem II PsbX protein Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Photosystem II antenna protein-like Photosystem II 10 kDa phosphoprotein PsbH Photosystem II PsbX protein Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT	LigPlot
6YP7	Download	Experimental	e6yp7a1 e6yp7B2 e6yp7i1 e6yp7b1 e6yp7T1 e6yp7b1 e6yp7h1 e6yp7x1 e6yp7B2 e6yp7t1 e6yp7B2 e6yp7H1 e6yp7X1	Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II reaction center protein I, PsbI Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Photosystem II antenna protein-like Photosystem II 10 kDa phosphoprotein PsbH Photosystem II PsbX protein Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Photosystem II antenna protein-like Photosystem II 10 kDa phosphoprotein PsbH Photosystem II PsbX protein	LigPlot
5XNM	Download	Experimental	e5xnmA1 e5xnmb2 e5xnmB2 e5xnmt1 e5xnmB2 e5xnmH1 e5xnmX1 e5xnmA1 e5xnmb2 e5xnmT1 e5xnma1 e5xnmB2 e5xnmb2 e5xnmT1 e5xnmb2 e5xnmh1 e5xnmx1 e5xnma1 e5xnmB2 e5xnmt1	Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Photosystem II antenna protein-like Photosystem II 10 kDa phosphoprotein PsbH Photosystem II PsbX protein Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT Photosystem II antenna protein-like Photosystem II 10 kDa phosphoprotein PsbH Photosystem II PsbX protein Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Photosystem II reaction center protein T, PsbT	LigPlot