Ligand name: BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)
PDB ligand accession: FSX
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: BIOGFUMNBIDAOG-UHFFFAOYSA-M
SMILES: [O][Fe]1O[Fe]23S[Fe]245[S]3[Fe]4(O1)S5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Inorganic compounds
  • Superclass: Mixed metal/non-metal compounds
    • Class: Transition metal organides
      • Subclass: Transition metal sulfides

List of PDB structures and/or AlphaFold models with target protein Q72AS4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZE6	Download	Experimental	e3ze6B2 e3ze6B3 e3ze6B4 e3ze6A4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Flavodoxin-like	LigPlot
2WPN	Download	Experimental	e2wpnB2 e2wpnB4 e2wpnA2	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like Flavodoxin-like	LigPlot
3ZE9	Download	Experimental	e3ze9B2 e3ze9B3 e3ze9B4 e3ze9A4	alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Flavodoxin-like	LigPlot