UniProt O94788
Retinal dehydrogenase 2 (O94788)
Retinal dehydrogenase 2 (UniProt O94788), EC 1.2.1.36: 9 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 75 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- O94788
- Protein
- Retinal dehydrogenase 2
- EC
- 1.2.1.36
- Experimental structures
- 9
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 75 · 4 records with a druggable one
Structures
10 records of O94788 in the MolNFT archive: 9 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4X2Q | Crystal structure of human aldehyde dehydrogenase, ALDH1A2 | x-ray diffraction | A, B, C, D | — | — |
| 6ALJ | ALDH1A2 liganded with NAD and compound WIN18,446 | x-ray diffraction | A, B, C, D | NAD, CW2 | 20 (best 0.91) |
| 6ALJ | ALDH1A2 liganded with NAD and compound WIN18,446 | x-ray diffraction | A, B, C, D | NAD, CW2 | — |
| 6B5G | ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin… | x-ray diffraction | A, B, C, D | NAD, CQY | 15 (best 0.91) |
| 6B5G | ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-YL){4-[4-nitro-3… | x-ray diffraction | A, B, C, D | NAD, CQY | — |
| 6B5H | ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-p… | x-ray diffraction | A, B, C, D | NAD, CU4 | 20 (best 0.90) |
| 6B5H | ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3… | x-ray diffraction | A, B, C, D | NAD, CU4 | — |
| 6B5I | ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole… | x-ray diffraction | A, B, C, D | CU4 | 20 (best 0.90) |
| 6B5I | ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4… | x-ray diffraction | A, B, C, D | CU4 | — |
| O94788 | AlphaFold monomer V2.0 prediction for retinal dehydrogenase 2 (O94788) | predicted | A | — | — |
Ligands
- NAD · Nicotinamide-adenine-dinucleotide · in 6 records
- CU4 · 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide · in 4 records
- CQY · (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl) phenyl]piperazin-1-yl}methanone · in 2 records
- CW2 · N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) · in 2 records
Experiment against prediction
- 6ALJ chain B against the predicted model O94788: TM-score 1.00, RMSD 0.35 Å
- 6ALJ chain B against the predicted model O94788: TM-score 1.00, RMSD 0.35 Å
- 6ALJ chain C against the predicted model O94788: TM-score 1.00, RMSD 0.35 Å
- 6ALJ chain C against the predicted model O94788: TM-score 1.00, RMSD 0.35 Å
- 6ALJ chain D against the predicted model O94788: TM-score 1.00, RMSD 0.38 Å
- 6ALJ chain D against the predicted model O94788: TM-score 1.00, RMSD 0.38 Å
- 6ALJ chain A against the predicted model O94788: TM-score 1.00, RMSD 0.38 Å
- 6ALJ chain A against the predicted model O94788: TM-score 1.00, RMSD 0.38 Å
- 6B5G chain C against the predicted model O94788: TM-score 1.00, RMSD 0.39 Å
- 6B5G chain C against the predicted model O94788: TM-score 1.00, RMSD 0.39 Å
Elsewhere
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