Ligand name: (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)
PDB ligand accession: FNE
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: RSNJUOPWNIKDNA-UHFFFAOYSA-N
SMILES: C(#O)[Fe]1(S[Ni]1)(C#O)C#O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Metalloheterocyclic compounds
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P21852

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1UBH	Download	Experimental	e1ubhL2 e1ubhL3 e1ubhL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBK	Download	Experimental	e1ubkL2 e1ubkL3 e1ubkL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBM	Download	Experimental	e1ubmL2 e1ubmL3 e1ubmL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBO	Download	Experimental	e1uboL2 e1uboL3 e1uboL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBL	Download	Experimental	e1ublL3 e1ublL5 e1ublL6	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBJ	Download	Experimental	e1ubjL2 e1ubjL3 e1ubjL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBT	Download	Experimental	e1ubtL2 e1ubtL3 e1ubtL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBU	Download	Experimental	e1ubuL2 e1ubuL3 e1ubuL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1UBR	Download	Experimental	e1ubrL2 e1ubrL3 e1ubrL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot