Ligand name: NI-FE ACTIVE CENTER A-FORM
PDB ligand accession: NFC
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: CIUCFLVMTAQNSJ-UHFFFAOYSA-N
SMILES: C(=O)[Fe](C=O)(C#N)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
1WUI	Download	Experimental	e1wuiL2 e1wuiL3 e1wuiL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
1WUH	Download	Experimental	e1wuhL2 e1wuhL3 e1wuhL4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot