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: 2IEA
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Color Legend
Unassigned regionsLigand / hetero atomse2ieaA1e2ieaA2e2ieaA3e2ieaB1e2ieaB2e2ieaB3
ECOD domains from experimental PDB structures interacting with ligand TPP
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0AFG8 | n/a | TPP | 2iea | e2ieaA2 | A:471-700 |
| P0AFG8 | n/a | TPP | 2iea | e2ieaA3 | A:56-470 |
| P0AFG8 | n/a | TPP | 2iea | e2ieaB1 | B:56-470 |
| P0AFG8 | n/a | TPP | 2iea | e2ieaB2 | B:471-700 |
| P0AFG8 | n/a | TPP | 2qta | e2qtaA2 | A:471-700 |
| P0AFG8 | n/a | TPP | 2qta | e2qtaA4 | A:56-470 |
| P0AFG8 | n/a | TPP | 2qta | e2qtaB2 | B:56-470 |
| P0AFG8 | n/a | TPP | 2qta | e2qtaB4 | B:471-700 |