Attributes
UniProt ID
Protein Name
Homoprotocatechuate 2,3-dioxygenase
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: 4GHH
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 atomse4ghhA10e4ghhA11e4ghhA12e4ghhA9e4ghhB10e4ghhB11e4ghhB12e4ghhB9e4ghhC10e4ghhC11e4ghhC12e4ghhC9e4ghhD10e4ghhD11e4ghhD12e4ghhD9
ECOD domains from experimental PDB structures interacting with ligand PEG
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q45135 | n/a | PEG | 4ghh | e4ghhC11 | C:148-207 |
| Q45135 | n/a | PEG | 4ghh | e4ghhC12 | C:3-70 |
| Q45135 | n/a | PEG | 4z6r | e4z6rC1 | C:4-70 |
| Q45135 | n/a | PEG | 4z6r | e4z6rC2 | C:148-207 |
| Q45135 | n/a | PEG | 4z6w | e4z6wA1 | A:4-70 |
| Q45135 | n/a | PEG | 4z6w | e4z6wA3 | A:71-147 |
| Q45135 | n/a | PEG | 4z6w | e4z6wB2 | B:4-70 |
| Q45135 | n/a | PEG | 4z6w | e4z6wB4 | B:148-207 |
| Q45135 | n/a | PEG | 4z6w | e4z6wD1 | D:4-70 |
| Q45135 | n/a | PEG | 4z6w | e4z6wD4 | D:71-147 |