UniProt A4YDT1
4-hydroxybutyrate--CoA ligase 1 (A4YDT1)
4-hydroxybutyrate--CoA ligase 1 (UniProt A4YDT1), EC 6.2.1.1, 6.2.1.17: 2 experimental structures and 1 predicted model on GenesisL1, 3 ligands bound, 30 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- A4YDT1
- Protein
- 4-hydroxybutyrate--CoA ligase 1
- EC
- 6.2.1.1, 6.2.1.17, 6.2.1.2, 6.2.1.40
- Experimental structures
- 2
- Predicted models
- 1
- Ligands
- 3
- Pockets
- 30 · 2 records with a druggable one
Structures
3 records of A4YDT1 in the MolNFT archive: 2 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8BIQ | Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP | x-ray diffraction | D, A, B, C | AMP, 6R9 | 18 (best 0.86) |
| 8BIT | Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and… | x-ray diffraction | B, A | 6R9, COA | 12 (best 0.83) |
| A4YDT1 | AlphaFold monomer V2.0 prediction for 4-hydroxybutyrate--CoA ligase 1 (A4YDT1) | predicted | A | — | — |
Ligands
Experiment against prediction
- 8BIQ chain C against the predicted model A4YDT1: TM-score 0.83, RMSD 2.90 Å
- 8BIQ chain A against the predicted model A4YDT1: TM-score 0.82, RMSD 2.87 Å
- 8BIQ chain D against the predicted model A4YDT1: TM-score 0.82, RMSD 2.98 Å
- 8BIQ chain B against the predicted model A4YDT1: TM-score 0.82, RMSD 2.94 Å
- 8BIT chain B against the predicted model A4YDT1: TM-score 0.82, RMSD 2.82 Å
- 8BIT chain A against the predicted model A4YDT1: TM-score 0.82, RMSD 2.82 Å
Elsewhere
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