UniProt P47895
Aldehyde dehydrogenase family 1 member A3 (P47895)
Aldehyde dehydrogenase family 1 member A3 (UniProt P47895), EC 1.2.1.36, 1.2.1.5: 15 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 44 pockets. Binding sites, druggability and experiment against…
- UniProt
- P47895
- Protein
- Aldehyde dehydrogenase family 1 member A3
- EC
- 1.2.1.36, 1.2.1.5
- Experimental structures
- 15
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 44 · 4 records with a druggable one
Structures
16 records of P47895 in the MolNFT archive: 15 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5FHZ | Human aldehyde dehydrogenase 1A3 complexed with NAD(+) and retinoic acid | x-ray diffraction | A, B, C, D, E, F, G, H | NAD, REA | — |
| 5FHZ | Human aldehyde dehydrogenase 1A3 complexed with NAD(+) and retinoic acid | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 6S6W | Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound… | x-ray diffraction | A, B | NAD, KXT | — |
| 6S6W | Crystal structure of human ALDH1A3 in complex with 2,6- DIPHENYLIMIDAZO[1,2-A]PYRIDINE (compound… | x-ray diffraction | A, B | NAD, KXT | — |
| 6TE5 | Crystal structure of human aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound | x-ray diffraction | A, B | NAD, N4Q | — |
| 6TGW | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with a selective inhibitor | x-ray diffraction | A, B, C, D | NAD, N98 | 20 (best 0.90) |
| 6TGW | Crystal structure of human aldehyde dehydrogenase 1A3 in complex with a selective inhibitor | x-ray diffraction | A, B, C, D | NAD, N98 | — |
| 6TRY | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound | x-ray diffraction | A, B | NAD, NW8 | 8 (best 0.83) |
| 6TRY | Crystal structure of human aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound | x-ray diffraction | A, B | NAD, NW8 | — |
| 7A6Q | Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor… | x-ray diffraction | A, B | NAD, R2Q, NA, R2K | — |
| 7QK7 | Crystal structure of the APO form of ALDH1A3 | x-ray diffraction | A, B | — | 8 (best 0.83) |
| 7QK7 | Crystal structure of the apo form of ALDH1A3 | x-ray diffraction | A, B | — | — |
| 7QK8 | Crystal structure of the ALDH1A3-NAD+ complex | x-ray diffraction | A, B | NAD, SO4 | 8 (best 0.84) |
| 7QK8 | Crystal structure of the ALDH1A3-NAD+ complex | x-ray diffraction | A, B | NAD, SO4 | — |
| 7QK9 | Crystal structure of the ALDH1A3-ATP complex | x-ray diffraction | A, B | ATP, SO4 | — |
| P47895 | AlphaFold monomer V2.0 prediction for aldehyde dehydrogenase family 1 member A3 (P47895) | predicted | A | — | — |
Ligands
- NAD · Nicotinamide-adenine-dinucleotide · in 11 records
- SO4 · Sulfate ion · in 3 records
- KXT · 2,6-diphenylimidazo[1,2-a]pyridine · in 2 records
- N98 · methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate · in 2 records
- NW8 · 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine · in 2 records
- ATP · Adenosine-5'-triphosphate · in 1 record
- N4Q · 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine · in 1 record
- NA · Sodium ion · in 1 record
- R2K · (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium · in 1 record
- R2Q · 3-(2-phenylimidazo[1,2-a]pyridin-6-yl) benzenecarbonitrile · in 1 record
- REA · Retinoic acid · in 1 record
Experiment against prediction
- 6TGW chain D against the predicted model P47895: TM-score 1.00, RMSD 0.56 Å
- 6TGW chain D against the predicted model P47895: TM-score 1.00, RMSD 0.56 Å
- 6TGW chain B against the predicted model P47895: TM-score 1.00, RMSD 0.57 Å
- 6TGW chain B against the predicted model P47895: TM-score 1.00, RMSD 0.57 Å
- 6TGW chain A against the predicted model P47895: TM-score 0.99, RMSD 0.59 Å
- 6TGW chain A against the predicted model P47895: TM-score 0.99, RMSD 0.59 Å
- 6TGW chain C against the predicted model P47895: TM-score 0.99, RMSD 0.61 Å
- 6TGW chain C against the predicted model P47895: TM-score 0.99, RMSD 0.61 Å
- 5FHZ chain D against the predicted model P47895: TM-score 0.99, RMSD 0.64 Å
- 5FHZ chain D against the predicted model P47895: TM-score 0.99, RMSD 0.64 Å
Elsewhere
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