DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Hydrogenase-1 large chain
Ligand Name
NI-FE OXIDIZED ACTIVE CENTER
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MPQMGFDSXFFIQL-UHFFFAOYSA-N
SMILES
C(#N)[Fe](C#N)(C#O)O[Ni]
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 5A4M
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse5a4mL1e5a4mL2e5a4mL3e5a4mL4e5a4mM1e5a4mM2e5a4mM3e5a4mM4e5a4mS1e5a4mS2e5a4mT1e5a4mT2
ECOD domains from experimental PDB structures interacting with ligand NFV
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0ACD8n/aNFV5a4me5a4mL1L:54-97,L:488-540
P0ACD8n/aNFV5a4me5a4mL3L:96-335,L:405-487
P0ACD8n/aNFV5a4me5a4mL4L:2-57,L:541-582
P0ACD8n/aNFV5a4me5a4mM2M:54-97,M:488-540
P0ACD8n/aNFV5a4me5a4mM3M:96-335,M:405-487
P0ACD8n/aNFV5a4me5a4mM4M:2-57,M:541-582