UniProt P0ADA1
Acyl-CoA thioesterase I (P0ADA1)
Acyl-CoA thioesterase I (UniProt P0ADA1), EC 3.1.1.5, 3.1.2.-: 6 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 5 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P0ADA1
- Protein
- Acyl-CoA thioesterase I
- EC
- 3.1.1.5, 3.1.2.-
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 5 · 2 records with a druggable one
Structures
7 records of P0ADA1 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5TIC | X-ray structure of wild-type E. coli Acyl-CoA thioesterase I at pH 5 | x-ray diffraction | A, B | CL | 4 (best 0.53) |
| 5TIC | X-ray structure of wild-type E. COLI acyl-CoA thioesterase I at pH 5 | x-ray diffraction | A, B | CL | — |
| 5TID | X-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 5 in complex with… | x-ray diffraction | A | OCA | 1 (best 0.55) |
| 5TID | X-ray structure of acyl-CoA thioesterase I, tesa, mutant M141L/Y145K/L146K at pH 5 in complex with… | x-ray diffraction | A | OCA | — |
| 5TIE | X-ray structure of acyl-CoA thioesterase I, tesa, mutant M141L/Y145K/L146K at pH 7.5 in complex… | x-ray diffraction | A | OCA | — |
| 5TIF | X-ray structure of acyl-CoA thioesterase I, tesa, triple mutant M141L/Y145K/L146K in complex with… | x-ray diffraction | A | OCA | — |
| P0ADA1 | AlphaFold monomer V2.0 prediction for thioesterase 1/PROTEASE 1/LYSOPHOSPHOLIPASE L1 (P0ADA1) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5TIC chain B against the predicted model P0ADA1: TM-score 0.99, RMSD 0.51 Å
- 5TIC chain B against the predicted model P0ADA1: TM-score 0.99, RMSD 0.51 Å
- 5TIC chain A against the predicted model P0ADA1: TM-score 0.98, RMSD 0.71 Å
- 5TIC chain A against the predicted model P0ADA1: TM-score 0.98, RMSD 0.71 Å
- 5TID chain A against the predicted model P0ADA1: TM-score 0.98, RMSD 0.75 Å
- 5TID chain A against the predicted model P0ADA1: TM-score 0.98, RMSD 0.75 Å
- 5TIE chain A against the predicted model P0ADA1: TM-score 0.98, RMSD 0.74 Å
- 5TIF chain A against the predicted model P0ADA1: TM-score 0.98, RMSD 0.84 Å
Elsewhere
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