Attributes
UniProt ID
Protein Name
Pyruvate dehydrogenase E1 component
Ligand Name
THIAMINE DIPHOSPHATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=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: 3LPL
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Color Legend
Unassigned regionsLigand / hetero atomse3lplA1e3lplA3e3lplA4e3lplB2e3lplB3e3lplB4
ECOD domains from experimental PDB structures interacting with ligand TPP
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0AFG9 | n/a | TPP | 3lpl | e3lplA1 | A:56-470 |
| P0AFG9 | n/a | TPP | 3lpl | e3lplA4 | A:471-700 |
| P0AFG9 | n/a | TPP | 3lpl | e3lplB2 | B:471-700 |
| P0AFG9 | n/a | TPP | 3lpl | e3lplB4 | B:56-470 |
| P0AFG9 | n/a | TPP | 3lq2 | e3lq2A2 | A:471-700 |
| P0AFG9 | n/a | TPP | 3lq2 | e3lq2A4 | A:56-470 |
| P0AFG9 | n/a | TPP | 3lq2 | e3lq2B1 | B:56-470 |
| P0AFG9 | n/a | TPP | 3lq2 | e3lq2B2 | B:471-700 |
| P0AFG9 | n/a | TPP | 3lq4 | e3lq4A2 | A:471-700 |
| P0AFG9 | n/a | TPP | 3lq4 | e3lq4A4 | A:56-470 |
| P0AFG9 | n/a | TPP | 3lq4 | e3lq4B1 | B:471-700 |
| P0AFG9 | n/a | TPP | 3lq4 | e3lq4B4 | B:56-470 |