Ligand name: (17[2]S)-17[2]-methylthio-coenzyme F43
PDB ligand accession: M43
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: UOYNURPVGLQPFO-AEEVBHTRSA-M
SMILES: CC12CC(=O)NC13CC4C(C(C5=[N]4[Ni+]67[N]3=C(C2CCC(=O)O)C=C8N6C(=C9C1=[N]7C(C5)C(C1CC(C9=O)SC)CC(=O)O)C(C8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrapyrroles and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein D1JBK2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SQG	Download	Experimental	e3sqgA1 e3sqgD1 e3sqgE1 e3sqgE2 e3sqgF1 e3sqgA1 e3sqgA2 e3sqgB1 e3sqgC1 e3sqgD2 e3sqgG1 e3sqgG2 e3sqgH1 e3sqgI1	Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits	LigPlot