Ligand name: 2-METHYLACETOACETYL COA
PDB ligand accession: MC4
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: HJBMSIYWKRMJGR-LURNCBTNSA-M
SMILES: CC(=C([O-])SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein O06543

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YIM	Download	Experimental	e2yimA1 e2yimB1 e2yimC1 e2yimD1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot