Attributes
UniProt ID
Protein Name
2-oxoglutarate dehydrogenase E1/E2 component
Ligand Name
(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XWZWGSGHSWWOAH-CVEARBPZSA-N
SMILES
Cc1ncc(c(n1)N)CN2C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)C(CCC(=O)O)(O)P(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 8P5W
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 atomse8p5wA1e8p5wA2e8p5wA3e8p5wA4e8p5wB1e8p5wB2e8p5wB3e8p5wB4e8p5wC1e8p5wC2e8p5wC3e8p5wC4e8p5wD1e8p5wD2e8p5wD3e8p5wD4e8p5wE1e8p5wE2e8p5wE3e8p5wE4e8p5wF1e8p5wF2e8p5wF3e8p5wF4
ECOD domains from experimental PDB structures interacting with ligand QSP
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wA1 | A:822-1088 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wA2 | A:360-821 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wB1 | B:360-821 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wB2 | B:822-1088 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wC1 | C:360-821 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wC3 | C:822-1088 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wD2 | D:822-1088 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wD4 | D:360-821 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wE2 | E:360-821 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wE4 | E:822-1088 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wF2 | F:360-821 |
| Q8NRC3 | n/a | QSP | 8p5w | e8p5wF4 | F:822-1088 |