Ligand name: (4R)-2-METHYLPENTANE-2,4-DIOL
PDB ligand accession: MRD
DrugBank: n/a
PubChem: 5288845
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-RXMQYKEDSA-N
SMILES: CC(CC(C)(C)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein P21852

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5Y4N	Download	Experimental	e5y4nS2 e5y4nL1 e5y4nL3	Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit alpha-helical domain in nickel-iron hydrogenase, large subunit all-beta domain in nickel-iron hydrogenase large subunit	LigPlot
1WUI	Download	Experimental	e1wuiL2	alpha-helical domain in nickel-iron hydrogenase, large subunit	LigPlot
1WUL	Download	Experimental	e1wulL2	alpha-helical domain in nickel-iron hydrogenase, large subunit	LigPlot