Attributes
UniProt ID
Protein Name
2-hydroxyisobutyryl-CoA synthetase
Ligand Name
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WJCYMTFWIDDQPQ-WOUKDFQISA-N
SMILES
CC(C)(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)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: 6HDW
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 atomse6hdwA1e6hdwA2e6hdwA3
ECOD domains from experimental PDB structures interacting with ligand 8LE
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| I3VE75 | n/a | 8LE | 6hdw | e6hdwA1 | A:20-286 |
| I3VE75 | n/a | 8LE | 6hdw | e6hdwA2 | A:357-476 |
| I3VE75 | n/a | 8LE | 6hdw | e6hdwA3 | A:287-356 |
| I3VE75 | n/a | 8LE | 6he0 | e6he0A1 | A:357-476 |
| I3VE75 | n/a | 8LE | 6he0 | e6he0A2 | A:20-286 |
| I3VE75 | n/a | 8LE | 6he0 | e6he0A3 | A:287-356 |
| I3VE75 | n/a | 8LE | 6he2 | e6he2A1 | A:287-356 |
| I3VE75 | n/a | 8LE | 6he2 | e6he2A2 | A:357-462 |
| I3VE75 | n/a | 8LE | 6he2 | e6he2A3 | A:-4-286 |
| I3VE75 | n/a | 8LE | 6he2 | e6he2B1 | B:287-356 |
| I3VE75 | n/a | 8LE | 6he2 | e6he2B2 | B:-2-286 |
| I3VE75 | n/a | 8LE | 6he2 | e6he2B3 | B:357-439 |