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 A0A3B6UEQ1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XVC	Download	Experimental	e5xvcL1 e5xvcL2 e5xvcL4 e5xvcM1 e5xvcM2 e5xvcM3	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 FAD-linked reductases, C-terminal domain-like	LigPlot
5XVD	Download	Experimental	e5xvdL1 e5xvdL3 e5xvdL4 e5xvdM1 e5xvdM3 e5xvdM4	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