UniProt P49189
4-trimethylaminobutyraldehyde dehydrogenase (P49189)
4-trimethylaminobutyraldehyde dehydrogenase (UniProt P49189), EC 1.2.1.19, 1.2.1.3: 8 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 28 pockets. Binding sites, druggability and experiment against…
- UniProt
- P49189
- Protein
- 4-trimethylaminobutyraldehyde dehydrogenase
- EC
- 1.2.1.19, 1.2.1.3, 1.2.1.47
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 28 · 2 records with a druggable one
Structures
9 records of P49189 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6QAK | Structure of human ALDH9 in P21212 space group | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 6QAK | Structure of human ALDH9 in P21212 space group | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 6QAO | Structure of human aldehyde dehydrogenase 9A1 in P21 space group | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 6QAP | Structure of the human aldehyde dehydrogenase 9A1 in C2 space group | x-ray diffraction | A, B, C, D | NA | — |
| 6VR6 | Structure of ALDH9A1 complexed with NAD+ in space group P1 | x-ray diffraction | A, B, C, D, E, F, G, H | NAD | 20 (best 0.87) |
| 6VR6 | Structure of ALDH9A1 complexed with NAD+ in space group P1 | x-ray diffraction | A, B, C, D, E, F, G, H | NAD | — |
| 6VWF | Structure of ALDH9A1 complexed with NAD+ in space group C222 | x-ray diffraction | A, B | NAD | 8 (best 0.63) |
| 6VWF | Structure of ALDH9A1 complexed with NAD+ in space group C222 | x-ray diffraction | A, B | NAD | — |
| P49189 | AlphaFold monomer V2.0 prediction for 4-trimethylaminobutyraldehyde dehydrogenase (P49189) | predicted | A | — | — |
Ligands
Experiment against prediction
- 6VR6 chain G against the predicted model P49189: TM-score 1.00, RMSD 0.44 Å
- 6VR6 chain G against the predicted model P49189: TM-score 1.00, RMSD 0.44 Å
- 6VR6 chain B against the predicted model P49189: TM-score 1.00, RMSD 0.45 Å
- 6VR6 chain B against the predicted model P49189: TM-score 1.00, RMSD 0.45 Å
- 6VR6 chain F against the predicted model P49189: TM-score 1.00, RMSD 0.48 Å
- 6VR6 chain F against the predicted model P49189: TM-score 1.00, RMSD 0.48 Å
- 6VR6 chain A against the predicted model P49189: TM-score 1.00, RMSD 0.48 Å
- 6VR6 chain A against the predicted model P49189: TM-score 1.00, RMSD 0.48 Å
- 6VR6 chain C against the predicted model P49189: TM-score 1.00, RMSD 0.48 Å
- 6VR6 chain C against the predicted model P49189: TM-score 1.00, RMSD 0.48 Å
Elsewhere
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