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 Q5SM19

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2EIY	Download	Experimental	e2eiyA1 e2eiyA2 e2eiyC2 e2eiyA1 e2eiyB1 e2eiyB2 e2eiyB1 e2eiyC1 e2eiyC2	barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes	LigPlot
1WRV	Download	Experimental	e1wrvA1 e1wrvB1 e1wrvB2 e1wrvC1 e1wrvC2	barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes	LigPlot
2EJ3	Download	Experimental	e2ej3A1 e2ej3A2 e2ej3C2 e2ej3A1 e2ej3B1 e2ej3B2 e2ej3B1 e2ej3C1 e2ej3C2	barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes	LigPlot
2EJ0	Download	Experimental	e2ej0A1 e2ej0A1 e2ej0B1 e2ej0B2 e2ej0B1 e2ej0C1 e2ej0C2 e2ej0D1 e2ej0D2 e2ej0F1 e2ej0D1 e2ej0E1 e2ej0E2 e2ej0F1	barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes	LigPlot
2EJ2	Download	Experimental	e2ej2A2 e2ej2F1	barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes	LigPlot