UniProt Q2YWJ9
3-dehydroquinate dehydratase (Q2YWJ9)
3-dehydroquinate dehydratase (UniProt Q2YWJ9), EC 4.2.1.10: 3 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 9 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q2YWJ9
- Protein
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- Experimental structures
- 3
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 9 · 3 records with a druggable one
Structures
4 records of Q2YWJ9 in the MolNFT archive: 3 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6SFH | CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7 | x-ray diffraction | A, B | L9Z, SO4, LI | 2 (best 0.68) |
| 6SFH | Crystal structure of DHQ1 from staphylococcus aureus covalently modified by ligand 7 | x-ray diffraction | A, B | L9Z, SO4, LI | 2 (best 0.68) |
| 8B2A | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | x-ray diffraction | AAA, BBB | PVI, SO4, CL | 5 (best 0.63) |
| Q2YWJ9 | AlphaFold monomer V2.0 prediction for 3-dehydroquinate dehydratase (Q2YWJ9) | predicted | A | — | — |
Ligands
Experiment against prediction
- 8B2A chain AAA against the predicted model Q2YWJ9: TM-score 0.99, RMSD 0.57 Å
- 6SFH chain B against the predicted model Q2YWJ9: TM-score 0.99, RMSD 0.62 Å
- 6SFH chain B against the predicted model Q2YWJ9: TM-score 0.99, RMSD 0.62 Å
- 6SFH chain A against the predicted model Q2YWJ9: TM-score 0.99, RMSD 0.82 Å
- 6SFH chain A against the predicted model Q2YWJ9: TM-score 0.99, RMSD 0.82 Å
- 8B2A chain BBB against the predicted model Q2YWJ9: TM-score 0.98, RMSD 0.86 Å
Elsewhere
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