DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
2-oxoglutarate dehydrogenase E1/E2 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: 8P5S
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Color Legend
Unassigned regionsLigand / hetero atomse8p5sA1e8p5sA2e8p5sA3e8p5sA4
ECOD domains from experimental PDB structures interacting with ligand TPP
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q8NRC3n/aTPP8p5se8p5sA2A:360-814
Q8NRC3n/aTPP8p5te8p5tA2A:360-821
Q8NRC3n/aTPP8p5te8p5tA4A:822-1088
Q8NRC3n/aTPP8p5te8p5tB3B:822-1088
Q8NRC3n/aTPP8p5te8p5tB4B:360-821
Q8NRC3n/aTPP8p5te8p5tC3C:822-1088
Q8NRC3n/aTPP8p5te8p5tC4C:360-821
Q8NRC3n/aTPP8p5te8p5tD3D:360-821
Q8NRC3n/aTPP8p5te8p5tD4D:822-1088
Q8NRC3n/aTPP8p5te8p5tE2E:822-1088
Q8NRC3n/aTPP8p5te8p5tE4E:360-821
Q8NRC3n/aTPP8p5te8p5tF3F:360-821
Q8NRC3n/aTPP8p5te8p5tF4F:822-1088
Q8NRC3n/aTPP8p5ue8p5uA1A:360-821
Q8NRC3n/aTPP8p5ue8p5uA2A:822-1088
Q8NRC3n/aTPP8p5ue8p5uB3B:360-821
Q8NRC3n/aTPP8p5ue8p5uB4B:822-1088
Q8NRC3n/aTPP8p5ue8p5uC1C:822-1088
Q8NRC3n/aTPP8p5ue8p5uC2C:360-821
Q8NRC3n/aTPP8p5ue8p5uD1D:822-1088
Q8NRC3n/aTPP8p5ue8p5uD2D:360-821
Q8NRC3n/aTPP8p5ue8p5uE1E:360-821
Q8NRC3n/aTPP8p5ue8p5uE4E:822-1088
Q8NRC3n/aTPP8p5ue8p5uF2F:360-821
Q8NRC3n/aTPP8p5ue8p5uF4F:822-1088
Q8NRC3n/aTPP8p5ve8p5vA1A:360-820
Q8NRC3n/aTPP8p5ve8p5vA2A:821-1088
Q8NRC3n/aTPP8p5ve8p5vB1B:360-820
Q8NRC3n/aTPP8p5ve8p5vB3B:821-1088
Q8NRC3n/aTPP8p5ve8p5vC3C:360-820
Q8NRC3n/aTPP8p5ve8p5vC4C:821-1088
Q8NRC3n/aTPP8p5ve8p5vD1D:360-820
Q8NRC3n/aTPP8p5ve8p5vD2D:821-1088
Q8NRC3n/aTPP8p5ve8p5vE1E:821-1088
Q8NRC3n/aTPP8p5ve8p5vE4E:360-820
Q8NRC3n/aTPP8p5ve8p5vF1F:821-1088
Q8NRC3n/aTPP8p5ve8p5vF4F:360-820
Q8NRC3n/aTPP8p5xe8p5xA1A:360-805
Q8NRC3n/aTPP8p5xe8p5xA3A:830-1088
Q8NRC3n/aTPP8p5xe8p5xB1B:830-1088
Q8NRC3n/aTPP8p5xe8p5xB3B:360-805
Q8NRC3n/aTPP8p5xe8p5xC1C:830-1088
Q8NRC3n/aTPP8p5xe8p5xC3C:360-805
Q8NRC3n/aTPP8p5xe8p5xD1D:360-805
Q8NRC3n/aTPP8p5xe8p5xD2D:830-1088
Q8NRC3n/aTPP8p5xe8p5xE1E:830-1088
Q8NRC3n/aTPP8p5xe8p5xE3E:360-805
Q8NRC3n/aTPP8p5xe8p5xF1F:830-1088
Q8NRC3n/aTPP8p5xe8p5xF3F:360-805