Ligand name: NI-FE OXIDIZED ACTIVE CENTER
PDB ligand accession: NFV
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: MPQMGFDSXFFIQL-UHFFFAOYSA-N
SMILES: C(#N)[Fe](C#N)(C#O)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 P31891

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IUB	Download	Experimental	e4iubL1 e4iubL2 e4iubL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
5MDJ	Download	Experimental	e5mdjL1 e5mdjL3 e5mdjL4	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
4TTT	Download	Experimental	e4tttL1 e4tttL2 e4tttL4	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
5D51	Download	Experimental	e5d51L2 e5d51L3 e5d51L4	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit	LigPlot
8POU	Download	Experimental	e8pouL2 e8pouL3 e8pouL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
5MDK	Download	Experimental	e5mdkL2 e5mdkL3 e5mdkL4	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
4IUD	Download	Experimental	e4iudL1 e4iudL2 e4iudL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
8POW	Download	Experimental	e8powL2 e8powL3 e8powL4	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
4IUC	Download	Experimental	e4iucL1 e4iucL2 e4iucL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
7ODH	Download	Experimental	e7odhL1 e7odhL2 e7odhL3	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
5MDL	Download	Experimental	e5mdlL1 e5mdlL2 e5mdlL4	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot