Attributes
UniProt ID
Protein Name
Acetyl-coenzyme A 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] ethanoate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UBPVOHPZRZIJHM-WOUKDFQISA-N
SMILES
CC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5K8F
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Color Legend
Unassigned regionsLigand / hetero atomse5k8fA1e5k8fA2e5k8fA3e5k8fA4e5k8fB1e5k8fB2e5k8fB3e5k8fB4e5k8fC1e5k8fC2e5k8fC3e5k8fC4
ECOD domains from experimental PDB structures interacting with ligand 6R9
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fA2 | A:462-542 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fA3 | A:543-681 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fA4 | A:275-461 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fB1 | B:543-681 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fB3 | B:462-542 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fB4 | B:275-461 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fC1 | C:543-681 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fC3 | C:275-461 |
| J9VFT1 | n/a | 6R9 | 5k8f | e5k8fC4 | C:462-542 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gA1 | A:462-542 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gA2 | A:543-677 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gA4 | A:275-461 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gB1 | B:543-677 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gB2 | B:275-461 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gB3 | B:462-542 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gC1 | C:543-677 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gC2 | C:275-461 |
| J9VFT1 | n/a | 6R9 | 7l4g | e7l4gC4 | C:462-542 |