Ligand name: FE (III) ION
PDB ligand accession: FE
DrugBank: n/a
PubChem: 29936
ChEMBL: n/a
InChI Key: VTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES: [Fe+3]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Inorganic compounds
  • Superclass: Homogeneous metal compounds
    • Class: Homogeneous transition metal compounds
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein J9PBS1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZGD	Download	Experimental	e4zgdA1 e4zgdB2 e4zgdC1 e4zgdD1 e4zgdE1 e4zgdF2 e4zgdG1 e4zgdH2 e4zgdK1 e4zgdL2 e4zgdM1 e4zgdN1 e4zgdO1 e4zgdP1 e4zgdP2	Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain SH3	LigPlot
4ZGE	Download	Experimental	e4zgeM1 e4zgeN2 e4zgeO1 e4zgeP2	Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3	LigPlot
4FM4	Download	Experimental	e4fm4B2 e4fm4A1 e4fm4D3 e4fm4C1 e4fm4J2 e4fm4J3 e4fm4I1 e4fm4N2 e4fm4M1 e4fm4P2 e4fm4P3 e4fm4O1	Nitrile hydratase subunit beta N-termial domain Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain SH3 Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain SH3 Nitrile hydratase alpha chain	LigPlot
4ZGJ	Download	Experimental	e4zgjC1 e4zgjD2 e4zgjE1 e4zgjF1 e4zgjG1 e4zgjH1 e4zgjK1 e4zgjL1	Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3 Nitrile hydratase alpha chain SH3	LigPlot