Attributes
UniProt ID
Protein Name
Hydrogenase-1 large chain
Ligand Name
NI-FE REDUCED ACTIVE CENTER
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JIXQCBCEPWXSQU-UHFFFAOYSA-O
SMILES
[H+]([Fe](C#N)(C#N)C#[O+])[Ni]
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6FPI
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Color Legend
Unassigned regionsLigand / hetero atomse6fpiL1e6fpiL2e6fpiL3e6fpiL4e6fpiM1e6fpiM2e6fpiM3e6fpiM4e6fpiS1e6fpiS2e6fpiT1e6fpiT2
ECOD domains from experimental PDB structures interacting with ligand EJ2
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0ACD8 | n/a | EJ2 | 6fpi | e6fpiL1 | L:55-97,L:490-541 |
| P0ACD8 | n/a | EJ2 | 6fpi | e6fpiL2 | L:2-54,L:542-582 |
| P0ACD8 | n/a | EJ2 | 6fpi | e6fpiL3 | L:98-337,L:407-489 |
| P0ACD8 | n/a | EJ2 | 6fpi | e6fpiM2 | M:2-54,M:542-582 |
| P0ACD8 | n/a | EJ2 | 6fpi | e6fpiM3 | M:98-337,M:407-489 |
| P0ACD8 | n/a | EJ2 | 6fpi | e6fpiM4 | M:55-97,M:490-541 |
| P0ACD8 | n/a | EJ2 | 6fpw | e6fpwL1 | L:54-97,L:488-540 |
| P0ACD8 | n/a | EJ2 | 6fpw | e6fpwL2 | L:2-57,L:541-582 |
| P0ACD8 | n/a | EJ2 | 6fpw | e6fpwL4 | L:96-335,L:405-487 |
| P0ACD8 | n/a | EJ2 | 6fpw | e6fpwM1 | M:96-335,M:405-487 |
| P0ACD8 | n/a | EJ2 | 6fpw | e6fpwM2 | M:2-57,M:541-582 |
| P0ACD8 | n/a | EJ2 | 6fpw | e6fpwM3 | M:54-97,M:488-540 |
| P0ACD8 | n/a | EJ2 | 6g7r | e6g7rL2 | L:55-97,L:490-541 |
| P0ACD8 | n/a | EJ2 | 6g7r | e6g7rL3 | L:98-337,L:407-489 |
| P0ACD8 | n/a | EJ2 | 6g7r | e6g7rL4 | L:2-54,L:542-582 |
| P0ACD8 | n/a | EJ2 | 6g7r | e6g7rM1 | M:55-97,M:490-541 |
| P0ACD8 | n/a | EJ2 | 6g7r | e6g7rM2 | M:98-337,M:407-489 |
| P0ACD8 | n/a | EJ2 | 6g7r | e6g7rM4 | M:2-54,M:542-582 |
| P0ACD8 | n/a | EJ2 | 6gal | e6galL1 | L:2-54,L:542-582 |
| P0ACD8 | n/a | EJ2 | 6gal | e6galL2 | L:55-97,L:490-541 |
| P0ACD8 | n/a | EJ2 | 6gal | e6galL3 | L:98-337,L:407-489 |
| P0ACD8 | n/a | EJ2 | 6gal | e6galM2 | M:2-54,M:542-582 |
| P0ACD8 | n/a | EJ2 | 6gal | e6galM3 | M:98-337,M:407-489 |
| P0ACD8 | n/a | EJ2 | 6gal | e6galM4 | M:55-97,M:490-541 |