UniProt P05091
Aldehyde dehydrogenase, mitochondrial (P05091)
Aldehyde dehydrogenase, mitochondrial (UniProt P05091), EC 1.2.1.3: 53 experimental structures and 1 predicted model on GenesisL1, 3 ligands bound, 20 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P05091
- Protein
- Aldehyde dehydrogenase, mitochondrial
- EC
- 1.2.1.3
- Experimental structures
- 53
- Predicted models
- 1
- Ligands
- 3
- Pockets
- 20 · 1 record with a druggable one
Structures
54 records of P05091 in the MolNFT archive: 53 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1CW3 | Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and MN2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1CW3 | Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and MN2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1NZW | Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NADH and Mg2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1NZW | CYS302SER mutant of human mitochondrial aldehyde dehydrogenase complexed with NADH and MG2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1NZX | Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low Mg2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1NZX | Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low MG2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1NZZ | Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of low Mg2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1NZZ | Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of low MG2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O00 | Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ showing dual NAD(H)… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O00 | Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and MG2+ showing dual NAD(H)… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O01 | Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and Mg2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O01 | Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and MG2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O02 | Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O02 | Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of MG2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O04 | Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O04 | CYS302SER mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ and MG2+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O05 | Apo form of human mitochondrial aldehyde dehydrogenase | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1O05 | Apo form of human mitochondrial aldehyde dehydrogenase | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 1ZUM | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 1ZUM | Human mitochondrial aldehyde dehydrogenase asian variant, ALDH2*2, apo form | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 2ONM | Human mitochondrial aldehyde dehydrogenase asian variant, ALDH2*2, complexed with NAD+ | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 2ONN | Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2ONN | ARG475GLN mutant of human mitochondrial aldehyde dehydrogenase, apo form | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2ONO | Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2ONO | ARG475GLN mutant of mitochondrial aldehyde dehydrogenase, apo form, pseudo-merohedrally twinned | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2ONP | Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2ONP | ARG475GLN mutant of human mitochondrial aldehyde dehydrogenase, complexed with NAD+ | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2VLE | The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2VLE | The structure of daidzin, a naturally occurring anti alcohol-addiction agent, in complex with human… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3INJ | Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3INJ | Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3INL | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3INL | Human mitochondrial aldehyde dehydrogenase asian variant, ALDH2*2, complexed with agonist alda-1 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N80 | Human mitochondrial aldehyde dehydrogenase, apo form | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N80 | Human mitochondrial aldehyde dehydrogenase, apo form | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N81 | T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N81 | T244A mutant of human mitochondrial aldehyde dehydrogenase, apo form | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N82 | T244A mutant of Human mitochondrial aldehyde dehydrogenase, NADH complex | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N82 | T244A mutant of human mitochondrial aldehyde dehydrogenase, NADH complex | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N83 | T244A mutant of human mitochondrial aldehyde dehydrogenase, NAD complex | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3N83 | T244A mutant of human mitochondrial aldehyde dehydrogenase, NAD complex | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3SZ9 | Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3SZ9 | Crystal structure of human ALDH2 modified with the beta-elimination product of aldi-3… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4FQF | Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2 | x-ray diffraction | A, B, C, D | — | — |
| 4FQF | Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2 | x-ray diffraction | A, B, C, D | — | — |
| 4FR8 | Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4FR8 | Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4KWF | Crystal Structure Analysis of ALDH2+ALDiB33 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4KWF | Crystal structure analysis of ALDH2+ALDIB33 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4KWG | Crystal Structure Analysis of ALDH2+ALDiB13 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4KWG | Crystal structure analysis of ALDH2+ALDIB13 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 5L13 | Structure of ALDH2 in complex with 2P3 | x-ray diffraction | A, B, C, D, E, F, G, H | NA, GAI, 6ZE | — |
| 8SHS | human liver mitochondrial Aldehyde dehydrogenase ALDH2 | electron microscopy | A, B, C, D | — | 20 (best 0.90) |
| P05091 | AlphaFold monomer V2.0 prediction for aldehyde dehydrogenase, mitochondrial (P05091) | predicted | A | — | — |
Ligands
Experiment against prediction
- 1O00 chain B against the predicted model P05091: TM-score 1.00, RMSD 0.17 Å
- 1O00 chain B against the predicted model P05091: TM-score 1.00, RMSD 0.17 Å
- 1O02 chain B against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 1O02 chain B against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 1NZX chain E against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 1NZX chain E against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 2VLE chain D against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 2VLE chain D against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 1NZX chain B against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
- 1NZX chain B against the predicted model P05091: TM-score 1.00, RMSD 0.18 Å
Elsewhere
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