Attributes
UniProt ID
Protein Name
1-deoxy-D-xylulose-5-phosphate synthase
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
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Structure: 2O1X
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Color Legend
Unassigned regionsLigand / hetero atomse2o1xA2e2o1xA5e2o1xA6e2o1xB1e2o1xB3e2o1xB4e2o1xC2e2o1xC3e2o1xC4e2o1xD1e2o1xD3e2o1xD4
ECOD domains from experimental PDB structures interacting with ligand TPP
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xA5 | A:5-198,A:244-318 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xA6 | A:319-492 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xB3 | B:8-198,B:243-318 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xB4 | B:319-492 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xC3 | C:7-190,C:245-290 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xC4 | C:322-492 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xD3 | D:17-191,D:245-290 |
| Q9RUB5 | n/a | TPP | 2o1x | e2o1xD4 | D:322-492 |
| Q9RUB5 | n/a | TPP | 6xxg | e6xxgAAA1 | AAA:319-492 |
| Q9RUB5 | n/a | TPP | 6xxg | e6xxgAAA3 | AAA:8-318 |
| Q9RUB5 | n/a | TPP | 6xxg | e6xxgBBB2 | BBB:2-185,BBB:246-292 |
| Q9RUB5 | n/a | TPP | 6xxg | e6xxgBBB3 | BBB:320-492 |