Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)
PDB ligand accession: 402
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: LJPDYWPSPOWMIB-UHFFFAOYSA-N
SMILES: C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P29166

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7QHF Download Experimental e7qhfA4
e7qhfB4
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6GM1 Download Experimental e6gm1A2
e6gm1B1
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6N59 Download Experimental e6n59A2
 Fe-only hydrogenase
LigPlot
6GM8 Download Experimental e6gm8A5
e6gm8B5
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6GM2 Download Experimental e6gm2A4
e6gm2B3
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6N6P Download Experimental e6n6pA5
 Fe-only hydrogenase
LigPlot
6GM0 Download Experimental e6gm0A5
e6gm0B5
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6GM3 Download Experimental e6gm3A5
e6gm3B1
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6GLZ Download Experimental e6glzA1
e6glzB2
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6GLY Download Experimental e6glyA2
e6glyB4
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
8CJY Download Experimental e8cjyA3
e8cjyB1
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6GM4 Download Experimental e6gm4A3
e6gm4B3
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6NAC Download Experimental e6nacA3
 Fe-only hydrogenase
LigPlot
4XDC Download Experimental e4xdcA5
e4xdcB5
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
5LA3 Download Experimental e5la3A4
e5la3B3
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot
6YF4 Download Experimental e6yf4A2
e6yf4B2
 Fe-only hydrogenase
Fe-only hydrogenase
LigPlot