UniProt A3M692
3-dehydroquinate dehydratase (A3M692)
3-dehydroquinate dehydratase (UniProt A3M692), EC 4.2.1.10: 20 experimental structures and 1 predicted model on GenesisL1, 3 ligands bound, 86 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- A3M692
- Protein
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- Experimental structures
- 20
- Predicted models
- 1
- Ligands
- 3
- Pockets
- 86 · 5 records with a druggable one
Structures
21 records of A3M692 in the MolNFT archive: 20 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4RC9 | Crystal Structure of the type II Dehydroquinate dehydratase from Acinetobacter baumannii at 2.03A… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 4RC9 | Crystal structure of the type II dehydroquinate dehydratase from acinetobacter baumannii at 2.03A… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 4RHC | Crystal structure of 3-Dehydroquinate dehydratase from Acinetobacter baumannii at 2.68 A resolution | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 4RHC | Crystal structure of 3-dehydroquinate dehydratase from acinetobacter baumannii at 2.68 a resolution | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 4ZC1 | Crystal Structure of type II Dehydroquinate dehydratase from Acinetobacter baumannii with a… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 4ZC1 | Crystal structure of type II dehydroquinate dehydratase from acinetobacter baumannii with a… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 5B6P | Structure of the dodecameric type-II dehydrogenate dehydratase from Acinetobacter baumannii at 2.00… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | 20 (best 0.72) |
| 5B6P | Structure of the dodecameric type-II dehydrogenate dehydratase from acinetobacter baumannii at 2.00… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 5WRF | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | 20 (best 0.72) |
| 5WRF | Crystal structure of dodecameric type II dehydroquinate dehydratase from acinetobacter baumannii… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 5X47 | Crystal structure of dehydroquinate dehydratase from Acinetobacter baumannii at 2.5 Angstrom… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | 20 (best 0.71) |
| 5X47 | Crystal structure of dehydroquinate dehydratase from acinetobacter baumannii at 2.5 ångström… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 5YDB | Crystal structure of the complex of type II dehydroquinate dehydratase from Acinetobacter baumannii… | x-ray diffraction | A, B, C, D | NA, DQA | 6 (best 0.65) |
| 5YDB | Crystal structure of the complex of type II dehydroquinate dehydratase from acinetobacter baumannii… | x-ray diffraction | A, B, C, D | NA, DQA | — |
| 5YHM | Crystal structure of dehydroquinate dehydratase with tris induced oligomerisation at 1.907 Angstrom… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | — |
| 5YHM | Crystal structure of dehydroquinate dehydratase with tris induced oligomerisation at 1.907 ångström… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | — |
| 5YL5 | Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | 20 (best 0.73) |
| 5YL5 | Crystal structure of dodecameric dehydroquinate dehydratase from acinetobacter baumannii at 1.9A… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | — |
| 5YPQ | Crystal structure of sulfated dehydroquinate dehydratase from Acinetobacter baumannii at 2.65 A… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | — |
| 5YPQ | Crystal structure of sulfated dehydroquinate dehydratase from acinetobacter baumannii at 2.65 a… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | — |
| A3M692 | AlphaFold monomer V2.0 prediction for 3-dehydroquinate dehydratase (A3M692) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5YDB chain C against the predicted model A3M692: TM-score 0.99, RMSD 0.32 Å
- 5YDB chain C against the predicted model A3M692: TM-score 0.99, RMSD 0.32 Å
- 5B6P chain K against the predicted model A3M692: TM-score 0.99, RMSD 0.36 Å
- 5B6P chain K against the predicted model A3M692: TM-score 0.99, RMSD 0.36 Å
- 5YPQ chain D against the predicted model A3M692: TM-score 0.99, RMSD 0.36 Å
- 5YPQ chain D against the predicted model A3M692: TM-score 0.99, RMSD 0.36 Å
- 5B6P chain F against the predicted model A3M692: TM-score 0.99, RMSD 0.37 Å
- 5B6P chain F against the predicted model A3M692: TM-score 0.99, RMSD 0.37 Å
- 5YL5 chain A against the predicted model A3M692: TM-score 0.99, RMSD 0.40 Å
- 5YL5 chain A against the predicted model A3M692: TM-score 0.99, RMSD 0.40 Å
Elsewhere
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