UniProt P00352
Retinal dehydrogenase 1 (P00352)
Retinal dehydrogenase 1 (UniProt P00352), EC 1.2.1.-, 1.2.1.19: 25 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 85 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P00352
- Protein
- Retinal dehydrogenase 1
- EC
- 1.2.1.-, 1.2.1.19, 1.2.1.28, 1.2.1.3, 1.2.1.36
- Experimental structures
- 25
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 85 · 9 records with a druggable one
Structures
26 records of P00352 in the MolNFT archive: 25 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4WB9 | Human ALDH1A1 complexed with NADH | x-ray diffraction | A | — | — |
| 4WB9 | Human ALDH1A1 complexed with NADH | x-ray diffraction | A | — | — |
| 4WJ9 | Structure of Human apo ALDH1A1 | x-ray diffraction | A | — | — |
| 4WJ9 | Structure of human apo ALDH1A1 | x-ray diffraction | A | — | — |
| 4WP7 | Structure of human ALDH1A1 with inhibitor CM026 | x-ray diffraction | A | — | — |
| 4WP7 | Structure of human ALDH1A1 with inhibitor CM026 | x-ray diffraction | A | — | — |
| 4WPN | Structure of human ALDH1A1 with inhibitor CM053 | x-ray diffraction | A | — | — |
| 4WPN | Structure of human ALDH1A1 with inhibitor CM053 | x-ray diffraction | A | — | — |
| 4X4L | Structure of human ALDH1A1 with inhibitor CM037 | x-ray diffraction | A | — | — |
| 5AC2 | human aldehyde dehydrogenase 1A1 with duocarmycin analog | x-ray diffraction | A | — | — |
| 5AC2 | Human aldehyde dehydrogenase 1A1 with duocarmycin analog | x-ray diffraction | A | — | — |
| 5L2M | Structure of ALDH1A1 in complex with BUC11 | x-ray diffraction | A | 6ZY, CL | — |
| 5L2M | Structure of ALDH1A1 in complex with BUC11 | x-ray diffraction | A | 6ZY, CL | — |
| 5L2N | Structure of ALDH1A1 in complex with BUC25 | x-ray diffraction | A | 6ZU, CL | 4 (best 0.75) |
| 5L2N | Structure of ALDH1A1 in complex with BUC25 | x-ray diffraction | A | 6ZU, CL | — |
| 5L2O | Crystal Structure of ALDH1A1 in complex with BUC22 | x-ray diffraction | A, B, C, D, E, F, G, H | 6ZW, YB, CL | 20 (best 0.87) |
| 5L2O | Crystal structure of ALDH1A1 in complex with BUC22 | x-ray diffraction | A, B, C, D, E, F, G, H | 6ZW, YB, CL | — |
| 5TEI | Structure of human ALDH1A1 with inhibitor CM039 | x-ray diffraction | A | NAI, YB, M39, CL | 4 (best 0.69) |
| 5TEI | Structure of human ALDH1A1 with inhibitor CM039 | x-ray diffraction | A | NAI, M39, CL | — |
| 7UM9 | Human ALDH1A1 with bound compound CM38 | x-ray diffraction | A | NQR, YB, NAD, CL | 4 (best 0.75) |
| 8ENE | Aldehyde dehydrogenase 1 family member A1 from human liver | electron microscopy | A, B, C, D | NAD | 20 (best 0.86) |
| 8PVH | Structure of human apo ALDH1A1 determined by cryoEM at 100 keV | electron microscopy | A | CL | 4 (best 0.71) |
| 8T0N | Structure of Compound 4 bound to human ALDH1A1 | x-ray diffraction | A | YB, Y0B, NAD, CL | 4 (best 0.74) |
| 8T0T | Structure of Compound 4 bound to human ALDH1A1 | x-ray diffraction | A | Y6E, CL | 5 (best 0.71) |
| 8WFQ | The Crystal Structure of RALDH1 from Biortus. | x-ray diffraction | A, B, C, D, E, F, G, H | NAI | 20 (best 0.85) |
| P00352 | AlphaFold monomer V2.0 prediction for retinal dehydrogenase 1 (P00352) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 12 records
- YB · Ytterbium (III) ion · in 5 records
- NAD · Nicotinamide-adenine-dinucleotide · in 3 records
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · in 3 records
- 6ZU · 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate · in 2 records
- 6ZW · 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one · in 2 records
- 6ZY · 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one · in 2 records
- M39 · 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one · in 2 records
- NQR · (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone · in 1 record
- Y0B · 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol · in 1 record
- Y6E · 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile · in 1 record
Experiment against prediction
- 4WJ9 chain A against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 4WJ9 chain A against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 4WPN chain A against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 4WPN chain A against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 4WP7 chain A against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 4WP7 chain A against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 5L2O chain D against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 5L2O chain D against the predicted model P00352: TM-score 1.00, RMSD 0.30 Å
- 5L2M chain A against the predicted model P00352: TM-score 1.00, RMSD 0.31 Å
- 5L2M chain A against the predicted model P00352: TM-score 1.00, RMSD 0.31 Å
Elsewhere
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