UniProt P52041
3-hydroxybutyryl-CoA dehydrogenase (P52041)
3-hydroxybutyryl-CoA dehydrogenase (UniProt P52041), EC 1.1.1.157: 4 experimental structures and 1 predicted model on GenesisL1, 1 ligand bound, 42 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P52041
- Protein
- 3-hydroxybutyryl-CoA dehydrogenase
- EC
- 1.1.1.157
- Experimental structures
- 4
- Predicted models
- 1
- Ligands
- 1
- Pockets
- 42 · 3 records with a druggable one
Structures
5 records of P52041 in the MolNFT archive: 4 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6AA8 | Crystal structure of (S)-3-hydroxybutyryl-coenzymeA dehydrogenase from Clostridium acetobutylicum… | x-ray diffraction | A, B, C, D, E, F | NAD | 20 (best 0.84) |
| 6AA8 | Crystal structure of (S)-3-hydroxybutyryl-coenzymea dehydrogenase from clostridium acetobutylicum… | x-ray diffraction | A, B, C, D, E, F | NAD | — |
| 6ACQ | Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase from Clostridium acetobutylicum, apo… | x-ray diffraction | A, B, C, D, E, F | — | 20 (best 0.84) |
| 6ACQ | Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase from clostridium acetobutylicum, apo… | x-ray diffraction | A, B, C, D, E, F | — | — |
| P52041 | AlphaFold monomer V2.0 prediction for 3-hydroxybutyryl-CoA dehydrogenase (P52041) | predicted | A | — | 2 (best 0.58) |
Ligands
- NAD · Nicotinamide-adenine-dinucleotide · in 2 records
Experiment against prediction
- 6ACQ chain F against the predicted model P52041: TM-score 0.96, RMSD 0.66 Å
- 6ACQ chain F against the predicted model P52041: TM-score 0.96, RMSD 0.66 Å
- 6AA8 chain C against the predicted model P52041: TM-score 0.99, RMSD 0.75 Å
- 6AA8 chain C against the predicted model P52041: TM-score 0.99, RMSD 0.75 Å
- 6ACQ chain A against the predicted model P52041: TM-score 0.98, RMSD 0.80 Å
- 6ACQ chain A against the predicted model P52041: TM-score 0.98, RMSD 0.80 Å
- 6AA8 chain B against the predicted model P52041: TM-score 0.98, RMSD 0.73 Å
- 6AA8 chain B against the predicted model P52041: TM-score 0.98, RMSD 0.73 Å
- 6ACQ chain B against the predicted model P52041: TM-score 0.95, RMSD 0.76 Å
- 6ACQ chain B against the predicted model P52041: TM-score 0.95, RMSD 0.76 Å
Elsewhere
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