Attributes
UniProt ID
Protein Name
Thioredoxin reductase
Ligand Name
3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JRGQEVHOKKZPIX-HISDBWNOSA-O
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 1F6M
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 atomse1f6mA1e1f6mA2e1f6mB1e1f6mB2e1f6mC1e1f6mD1e1f6mE1e1f6mE2e1f6mF1e1f6mF2e1f6mG1e1f6mH1
ECOD domains from experimental PDB structures interacting with ligand 3AA
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mA1 | A:1-118,A:245-317 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mA2 | A:119-244 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mB1 | B:1-118,B:245-317 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mB2 | B:119-244 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mE1 | E:1-118,E:245-317 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mE2 | E:119-244 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mF1 | F:1-118,F:245-317 |
| P0A9P4 | n/a | 3AA | 1f6m | e1f6mF2 | F:119-244 |