Ligand name: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
PDB ligand accession: MGD
DrugBank: n/a
PubChem: 5326487;135398583;
ChEMBL: n/a
InChI Key: VQAGYJCYOLHZDH-ILXWUORBSA-N
SMILES: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Molybdopterin dinucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P80563

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4V4C	Download	Experimental	e4v4cA2 e4v4cA3 e4v4cA4 e4v4cA5 e4v4cC2 e4v4cC3 e4v4cC4 e4v4cC5 e4v4cE2 e4v4cE3 e4v4cE4 e4v4cE5 e4v4cG1 e4v4cG2 e4v4cG3 e4v4cG4 e4v4cI1 e4v4cI2 e4v4cI3 e4v4cI4 e4v4cK2 e4v4cK3 e4v4cK4 e4v4cK5 e4v4cM1 e4v4cM2 e4v4cM3 e4v4cM4 e4v4cO1 e4v4cO2 e4v4cO3 e4v4cO4 e4v4cQ1 e4v4cQ2 e4v4cQ3 e4v4cQ4 e4v4cS2 e4v4cS3 e4v4cS4 e4v4cS5 e4v4cU2 e4v4cU3 e4v4cU4 e4v4cU5 e4v4cW2 e4v4cW3 e4v4cW4 e4v4cW5	cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
4V4D	Download	Experimental	e4v4dA1 e4v4dA2 e4v4dA3 e4v4dA4 e4v4dC1 e4v4dC2 e4v4dC3 e4v4dC4 e4v4dE2 e4v4dE3 e4v4dE4 e4v4dE5 e4v4dG1 e4v4dG2 e4v4dG3 e4v4dG4 e4v4dI1 e4v4dI2 e4v4dI3 e4v4dI4 e4v4dK2 e4v4dK3 e4v4dK4 e4v4dK5 e4v4dM1 e4v4dM2 e4v4dM3 e4v4dM4 e4v4dO1 e4v4dO2 e4v4dO3 e4v4dO4 e4v4dQ2 e4v4dQ3 e4v4dQ4 e4v4dQ5 e4v4dS2 e4v4dS3 e4v4dS4 e4v4dS5 e4v4dU2 e4v4dU3 e4v4dU4 e4v4dU5 e4v4dW2 e4v4dW3 e4v4dW4 e4v4dW5	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
4V4E	Download	Experimental	e4v4eA1 e4v4eA2 e4v4eA3 e4v4eA4 e4v4eC2 e4v4eC3 e4v4eC4 e4v4eC5 e4v4eE2 e4v4eE3 e4v4eE4 e4v4eE5 e4v4eG1 e4v4eG2 e4v4eG3 e4v4eG4 e4v4eI1 e4v4eI2 e4v4eI3 e4v4eI4 e4v4eK2 e4v4eK3 e4v4eK4 e4v4eK5 e4v4eM1 e4v4eM2 e4v4eM3 e4v4eM4 e4v4eO2 e4v4eO3 e4v4eO4 e4v4eO5 e4v4eQ2 e4v4eQ3 e4v4eQ4 e4v4eQ5 e4v4eS2 e4v4eS3 e4v4eS4 e4v4eS5 e4v4eU2 e4v4eU3 e4v4eU4 e4v4eU5 e4v4eW2 e4v4eW3 e4v4eW4 e4v4eW5	Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot