Ligand name: S-ADENOSYLMETHIONINE
PDB ligand accession: SAM
DrugBank: DB00118
PubChem: n/a
ChEMBL: CHEMBL1235831
InChI Key: MEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: 5'-deoxy-5'-thionucleosides

List of PDB structures and/or AlphaFold models with target protein B2NE58

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RKC	Download	Experimental	e6rkcA3 e6rkcD2 e6rkcB2 e6rkcC1 e6rkcE1 e6rkcH2 e6rkcF1 e6rkcG2	Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like	LigPlot
6RK7	Download	Experimental	e6rk7A1 e6rk7B2 e6rk7E3 e6rk7H2 e6rk7F3 e6rk7G3	Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like	LigPlot
6RKA	Download	Experimental	e6rkaA1 e6rkaA2 e6rkaA3 e6rkaB1 e6rkaB2 e6rkaB3 e6rkaC1 e6rkaC2 e6rkaC3 e6rkaD1 e6rkaD2 e6rkaD3	Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like Alpha-lytic protease prodomain-like	LigPlot