Attributes
UniProt ID
Protein Name
citrate synthase
Ligand Name
DI(HYDROXYETHYL)ETHER
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MTHSVFCYNBDYFN-UHFFFAOYSA-N
SMILES
C(COCCO)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 8GIW
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 atomse8giwA1e8giwB1e8giwC1e8giwD1
ECOD domains from experimental PDB structures interacting with ligand PEG
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A045JB88 | n/a | PEG | 8giw | e8giwB1 | B:4-373 |
| A0A045JB88 | n/a | PEG | 8giw | e8giwC1 | C:3-373 |
| A0A045JB88 | n/a | PEG | 8gll | e8gllA1 | A:1-372 |
| A0A045JB88 | n/a | PEG | 8gll | e8gllB1 | B:8-372 |
| A0A045JB88 | n/a | PEG | 8gll | e8gllC1 | C:4-373 |
| A0A045JB88 | n/a | PEG | 8gll | e8gllD1 | D:8-372 |
| A0A045JB88 | n/a | PEG | 8gll | e8gllE1 | E:10-371 |
| A0A045JB88 | n/a | PEG | 8gll | e8gllH1 | H:4-370 |
| A0A045JB88 | n/a | PEG | 8gm9 | e8gm9A1 | A:8-372 |
| A0A045JB88 | n/a | PEG | 8gm9 | e8gm9B1 | B:13-371 |
| A0A045JB88 | n/a | PEG | 8gm9 | e8gm9D1 | D:6-372 |
| A0A045JB88 | n/a | PEG | 8gmk | e8gmkA1 | A:8-371 |
| A0A045JB88 | n/a | PEG | 8gmk | e8gmkB1 | B:8-372 |