Ligand name: 5'-DEOXY-5'-METHYLTHIOADENOSINE
PDB ligand accession: MTA
DrugBank: DB02282
PubChem: 439176
ChEMBL: CHEMBL277041
InChI Key: WUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES: CSCC1C(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 A3MU81

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7XIF	Download	Experimental	e7xifA1 e7xifA2 e7xifB1 e7xifB2 e7xifC1 e7xifC2 e7xifD1 e7xifD2 e7xifE1 e7xifE2 e7xifF1 e7xifF2 e7xifG1 e7xifG2 e7xifH1 e7xifH2 e7xifI1 e7xifI2 e7xifJ1 e7xifJ2 e7xifK1 e7xifK2 e7xifL1 e7xifL2	Spermidine synthase tetramerisation domain Rossmann-like Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like	LigPlot
7XIG	Download	Experimental	e7xigA1 e7xigA2 e7xigB1 e7xigB2 e7xigC1 e7xigC2 e7xigD1 e7xigD2 e7xigE1 e7xigE2 e7xigF1 e7xigF2 e7xigG1 e7xigG2 e7xigH1 e7xigH2	Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like	LigPlot
7XII	Download	Experimental	e7xiiA1 e7xiiA2 e7xiiB1 e7xiiB2 e7xiiC1 e7xiiC2 e7xiiD1 e7xiiD2	Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like	LigPlot
7XIH	Download	Experimental	e7xihA1 e7xihA2 e7xihB1 e7xihB2	Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain	LigPlot