Ligand name: PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
PDB ligand accession: MTE
DrugBank: n/a
PubChem: 444331;5288852;135398581;
ChEMBL: n/a
InChI Key: HPEUEJRPDGMIMY-IFQPEPLCSA-N
SMILES: C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pteridines and derivatives
      • Subclass: Pterins and derivatives

List of PDB structures and/or AlphaFold models with target protein O54050

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2W3S	Download	Experimental	e2w3sA3 e2w3sB2 e2w3sB4 e2w3sC3 e2w3sD2 e2w3sD4 e2w3sE1 e2w3sE3 e2w3sF2 e2w3sF4 e2w3sG1 e2w3sG3 e2w3sH2 e2w3sH4	CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related	LigPlot
1JRP	Download	Experimental	e1jrpA3 e1jrpB3 e1jrpB4 e1jrpC3 e1jrpD3 e1jrpD4 e1jrpE1 e1jrpE3 e1jrpF3 e1jrpF4 e1jrpG1 e1jrpG3 e1jrpH3 e1jrpH4	CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related	LigPlot
2W3R	Download	Experimental	e2w3rA3 e2w3rB3 e2w3rB4 e2w3rC3 e2w3rD2 e2w3rD4 e2w3rE1 e2w3rE3 e2w3rF2 e2w3rF4 e2w3rG1 e2w3rG3 e2w3rH2 e2w3rH4	CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related	LigPlot
1JRO	Download	Experimental	e1jroA5 e1jroB3 e1jroB4 e1jroC3 e1jroD3 e1jroD4 e1jroE1 e1jroE3 e1jroF3 e1jroF4 e1jroG1 e1jroG3 e1jroH3 e1jroH4	CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related FAD-binding domain-like CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related	LigPlot