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 P21852

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XLG	Download	Experimental	e5xlgL1 e5xlgL3 e5xlgL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
5XLH	Download	Experimental	e5xlhL2 e5xlhL3 e5xlhL4	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit	LigPlot
5XLF	Download	Experimental	e5xlfL1 e5xlfL2 e5xlfL3	FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot