Ligand name: (4S)-2-METHYL-2,4-PENTANEDIOL
PDB ligand accession: MPD
DrugBank: DB03564
PubChem: 5288834
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-YFKPBYRVSA-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 A0A0D1I3W4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WID	Download	Experimental	e7widA1 e7widA1 e7widB1 e7widC1 e7widD1 e7widE1 e7widF1 e7widG1 e7widH1 e7widH1 e7widI1 e7widJ1 e7widK1 e7widL1 e7widM1 e7widN1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
7XBZ	Download	Experimental	e7xbzA1 e7xbzA1 e7xbzB1 e7xbzC1 e7xbzD1 e7xbzE1 e7xbzF1 e7xbzG1 e7xbzH1 e7xbzI1 e7xbzJ1 e7xbzK1 e7xbzL1 e7xbzM1 e7xbzN1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
7WGS	Download	Experimental	e7wgsA1 e7wgsA1 e7wgsB1 e7wgsC1 e7wgsD1 e7wgsE1 e7wgsF1 e7wgsG1 e7wgsH1 e7wgsI1 e7wgsJ1 e7wgsK1 e7wgsL1 e7wgsM1 e7wgsN1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot