Attributes
UniProt ID
Protein Name
Acyl-CoA synthetase
Ligand Name
COENZYME A
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4XYL
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 atomse4xylA1e4xylA2e4xylA3e4xylB1e4xylC1e4xylC2e4xylC3e4xylD1
ECOD domains from experimental PDB structures interacting with ligand DB01992
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| B1L3C9 | DB01992 | COA | 4xyl | e4xylA1 | A:2-130 |
| B1L3C9 | DB01992 | COA | 4xyl | e4xylA2 | A:131-295 |
| B1L3C9 | DB01992 | COA | 4xyl | e4xylC1 | C:131-295 |
| B1L3C9 | DB01992 | COA | 4xyl | e4xylC2 | C:2-130 |
| B1L3C9 | DB01992 | COA | 4xym | e4xymA1 | A:296-464 |
| B1L3C9 | DB01992 | COA | 4xym | e4xymA2 | A:1-130 |
| B1L3C9 | DB01992 | COA | 4xym | e4xymA3 | A:131-295 |
| B1L3C9 | DB01992 | COA | 4xym | e4xymC1 | C:2-130 |
| B1L3C9 | DB01992 | COA | 4xym | e4xymC2 | C:131-295 |
| B1L3C9 | DB01992 | COA | 4xym | e4xymC3 | C:296-462 |
| B1L3C9 | DB01992 | COA | 4xz3 | e4xz3A2 | A:2-130 |
| B1L3C9 | DB01992 | COA | 4xz3 | e4xz3A3 | A:131-295 |
| B1L3C9 | DB01992 | COA | 4xz3 | e4xz3C1 | C:3-130 |
| B1L3C9 | DB01992 | COA | 4xz3 | e4xz3C2 | C:131-295 |
| B1L3C9 | DB01992 | COA | 4yak | e4yakA1 | A:2-130 |
| B1L3C9 | DB01992 | COA | 4yak | e4yakA3 | A:131-295 |
| B1L3C9 | DB01992 | COA | 4yak | e4yakC2 | C:296-464 |
| B1L3C9 | DB01992 | COA | 5hbr | e5hbrA1 | A:1-130 |
| B1L3C9 | DB01992 | COA | 5hbr | e5hbrA2 | A:296-464 |
| B1L3C9 | DB01992 | COA | 5hbr | e5hbrA3 | A:131-295 |
| B1L3C9 | DB01992 | COA | 5hbr | e5hbrC1 | C:296-464 |
| B1L3C9 | DB01992 | COA | 5hbr | e5hbrC2 | C:1-130 |
| B1L3C9 | DB01992 | COA | 5hbr | e5hbrC3 | C:131-295 |