Attributes
UniProt ID
Protein Name
4-hydroxybutyrate--CoA ligase 1
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: 8BIQ
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Color Legend
Unassigned regionsLigand / hetero atomse8biqA1e8biqA2e8biqA3e8biqA4e8biqB1e8biqB2e8biqB3e8biqB4e8biqC1e8biqC2e8biqC3e8biqC4e8biqD1e8biqD2e8biqD3e8biqD4
ECOD domains from experimental PDB structures interacting with ligand 6R9
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A4YDT1 | n/a | 6R9 | 8biq | e8biqB1 | B:371-450 |
| A4YDT1 | n/a | 6R9 | 8biq | e8biqB2 | B:451-570 |
| A4YDT1 | n/a | 6R9 | 8biq | e8biqB4 | B:200-373 |
| A4YDT1 | n/a | 6R9 | 8bit | e8bitA1 | A:451-569 |
| A4YDT1 | n/a | 6R9 | 8bit | e8bitA3 | A:371-450 |
| A4YDT1 | n/a | 6R9 | 8bit | e8bitA4 | A:200-373 |
| A4YDT1 | n/a | 6R9 | 8bit | e8bitB1 | B:451-569 |
| A4YDT1 | n/a | 6R9 | 8bit | e8bitB2 | B:371-450 |
| A4YDT1 | n/a | 6R9 | 8bit | e8bitB4 | B:200-373 |