Ligand name: NI-FE REDUCED ACTIVE CENTER
PDB ligand accession: EJ2
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: JIXQCBCEPWXSQU-UHFFFAOYSA-O
SMILES: [H+]([Fe](C#N)(C#N)C#[O+])[Ni]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic salts
    • Class: Organic metal salts
      • Subclass: Organic transition metal salts

List of PDB structures and/or AlphaFold models with target protein P0ACD8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GAL	Download	Experimental	e6galL1 e6galL2 e6galL3 e6galM2 e6galM3 e6galM4	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
6FPI	Download	Experimental	e6fpiL1 e6fpiL2 e6fpiL3 e6fpiM2 e6fpiM3 e6fpiM4	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
6G7R	Download	Experimental	e6g7rL2 e6g7rL3 e6g7rL4 e6g7rM1 e6g7rM2 e6g7rM4	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
6FPW	Download	Experimental	e6fpwL1 e6fpwL2 e6fpwL4 e6fpwM1 e6fpwM2 e6fpwM3	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot