Ligand name: PYRIDOXAL-5'-PHOSPHATE
PDB ligand accession: PLP
DrugBank: DB00114
PubChem: 1051
ChEMBL: CHEMBL82202
InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridine carboxaldehydes

List of PDB structures and/or AlphaFold models with target protein B2DFG5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3WQE	Download	Experimental	e3wqeA1 e3wqeA2 e3wqeB2 e3wqeA1 e3wqeA2 e3wqeB1 e3wqeB2	TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel	LigPlot
4PB4	Download	Experimental	e4pb4B1 e4pb4A1 e4pb4A2 e4pb4B1 e4pb4B2 e4pb4A1 e4pb4A2	cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot
3WQF	Download	Experimental	e3wqfA1 e3wqfA2 e3wqfB1 e3wqfB2	TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel	LigPlot
4PB3	Download	Experimental	e4pb3A1 e4pb3A2 e4pb3B1 e4pb3B2	cradle loop barrel TIM beta/alpha-barrel TIM beta/alpha-barrel cradle loop barrel	LigPlot
4PB5	Download	Experimental	e4pb5B1 e4pb5A1 e4pb5A2 e4pb5B1 e4pb5B2 e4pb5A1 e4pb5A2	cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot
3WQG	Download	Experimental	e3wqgA1 e3wqgB2	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3WQD	Download	Experimental	e3wqdA1 e3wqdA2 e3wqdB2 e3wqdA1 e3wqdA2 e3wqdB1 e3wqdB2	TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel	LigPlot
3WQC	Download	Experimental	e3wqcA1 e3wqcA2 e3wqcB1 e3wqcB2	TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel	LigPlot