UniProt P0A9Q7
Aldehyde-alcohol dehydrogenase (P0A9Q7)
Aldehyde-alcohol dehydrogenase (UniProt P0A9Q7), EC 1.1.1.1, 1.2.1.10: 12 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 89 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P0A9Q7
- Protein
- Aldehyde-alcohol dehydrogenase
- EC
- 1.1.1.1, 1.2.1.10
- Experimental structures
- 12
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 89 · 6 records with a druggable one
Structures
13 records of P0A9Q7 in the MolNFT archive: 12 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6AHC | Cryo-EM structure of aldehyde-alcohol dehydrogenase reveals a high-order helical architecture… | electron microscopy | A, B, C, D, E, F, G, H | — | 20 (best 0.89) |
| 6AHC | Cryo-EM structure of aldehyde-alcohol dehydrogenase reveals a high- order helical architecture… | electron microscopy | A, B, C, D, E, F, G, H | — | — |
| 6SCG | Structure of AdhE form 1 | x-ray diffraction | A, B | NAD, SO4, FE | 5 (best 0.79) |
| 6SCG | Structure of adhe form 1 | x-ray diffraction | A, B | NAD, SO4, FE | — |
| 6SCI | Structure of AdhE form 1 | x-ray diffraction | A, B | FE | 4 (best 0.81) |
| 6SCI | Structure of adhe form 1 | x-ray diffraction | A, B | FE | — |
| 6TQH | Escherichia coli AdhE structure in its extended conformation | electron microscopy | A, F, C, B | NAD, FE | 20 (best 0.81) |
| 6TQH | Escherichia COLI adhe structure in its extended conformation | electron microscopy | A, F, C, B | NAD, FE | — |
| 6TQM | Escherichia coli AdhE structure in its compact conformation | electron microscopy | F, C, B, A | FE, NAI | 20 (best 0.88) |
| 6TQM | Escherichia COLI adhe structure in its compact conformation | electron microscopy | F, C, B, A | FE, TXE | — |
| 7BVP | AdhE spirosome in extended conformation | electron microscopy | A, B, C, D, E, F | NAD, ZN | 20 (best 0.85) |
| 7BVP | Adhe spirosome in extended conformation | electron microscopy | A, B, C, D, E, F | NAD, ZN | — |
| P0A9Q7 | AlphaFold monomer V2.0 prediction for aldehyde-alcohol dehydrogenase (P0A9Q7) | predicted | A | — | — |
Ligands
- FE · Fe (III) ion · in 8 records
- NAD · Nicotinamide-adenine-dinucleotide · in 6 records
- SO4 · Sulfate ion · in 2 records
- ZN · Zinc ion · in 2 records
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · in 1 record
- TXE · [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate · in 1 record
Experiment against prediction
- 6SCI chain B against the predicted model P0A9Q7: TM-score 0.99, RMSD 1.05 Å
- 6SCI chain B against the predicted model P0A9Q7: TM-score 0.99, RMSD 1.05 Å
- 6TQH chain C against the predicted model P0A9Q7: TM-score 0.99, RMSD 0.91 Å
- 6TQH chain C against the predicted model P0A9Q7: TM-score 0.99, RMSD 0.91 Å
- 6TQH chain F against the predicted model P0A9Q7: TM-score 0.99, RMSD 0.91 Å
- 6TQH chain F against the predicted model P0A9Q7: TM-score 0.99, RMSD 0.91 Å
- 6SCG chain B against the predicted model P0A9Q7: TM-score 0.99, RMSD 1.05 Å
- 6SCG chain B against the predicted model P0A9Q7: TM-score 0.99, RMSD 1.05 Å
- 7BVP chain E against the predicted model P0A9Q7: TM-score 0.99, RMSD 1.23 Å
- 7BVP chain E against the predicted model P0A9Q7: TM-score 0.99, RMSD 1.23 Å
Elsewhere
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