UniProt P24670
3-dehydroquinate dehydratase (P24670)
3-dehydroquinate dehydratase (UniProt P24670), EC 4.2.1.10: 26 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P24670
- Protein
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- Experimental structures
- 26
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 2 · 0 records with a druggable one
Structures
27 records of P24670 in the MolNFT archive: 26 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1GQN | Native 3-dehydroquinase from Salmonella typhi | x-ray diffraction | A | — | — |
| 1GQN | Native 3-dehydroquinase from salmonella typhi | x-ray diffraction | A | — | — |
| 1L9W | Crystal structure of 3-dehydroquinase from salmonella typhi complexed with reaction product | x-ray diffraction | A, B, C, D | — | — |
| 1L9W | Crystal structure of 3-dehydroquinase from salmonella typhi complexed with reaction product | x-ray diffraction | A, B, C, D | — | — |
| 1QFE | The structure of type I 3-dehydroquinate dehydratase from salmonella typhi | x-ray diffraction | A, B | — | — |
| 1QFE | The structure of type I 3-dehydroquinate dehydratase from salmonella typhi | x-ray diffraction | A, B | — | — |
| 4CLM | Structure of Salmonella typhi type I dehydroquinase irreversibly inhibited with a… | x-ray diffraction | A, B | — | — |
| 4CLM | Structure of salmonella typhi type I dehydroquinase irreversibly inhibited with a… | x-ray diffraction | A, B | — | — |
| 4CNN | High resolution structure of Salmonella typhi type I dehydroquinase | x-ray diffraction | A, B | — | — |
| 4CNN | High resolution structure of salmonella typhi type I dehydroquinase | x-ray diffraction | A, B | — | — |
| 4CNO | Structure of the Salmonella typhi Type I dehydroquinase inhibited by a 3-dehydroquinic acid… | x-ray diffraction | A, B, C, D | — | — |
| 4CNO | Structure of the salmonella typhi type I dehydroquinase inhibited by a 3-dehydroquinic acid… | x-ray diffraction | A, B, C, D | — | — |
| 4CNP | Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative | x-ray diffraction | A, B | — | — |
| 4CNP | Structure of the salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative | x-ray diffraction | A, B | — | — |
| 4UIO | Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic… | x-ray diffraction | A | — | — |
| 4UIO | Structure of the salmonella typhi type I dehydroquinase covalently inhibited by a 3-dehydroquinic… | x-ray diffraction | A | — | — |
| 6H5C | Crystal structure of DHQ1 from salmonella typhi covalently modified by ligand 1 | x-ray diffraction | A, B | FSQ | — |
| 6H5D | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 2 | x-ray diffraction | A, B | WPL | — |
| 6H5D | Crystal structure of DHQ1 from salmonella typhi covalently modified by ligand 2 | x-ray diffraction | A, B | WPL | — |
| 6H5G | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | x-ray diffraction | A | FQZ | — |
| 6H5G | Crystal structure of DHQ1 from salmonella typhi covalently modified by ligand 3 | x-ray diffraction | A | FQZ | — |
| 6H5J | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | x-ray diffraction | A | FT5 | — |
| 6H5J | Crystal structure of DHQ1 from salmonella typhi covalently modified by ligand 4 | x-ray diffraction | A | FT5 | — |
| 6SFE | Crystal structure of DHQ1 from salmonella typhi covalently modified by compound 7 | x-ray diffraction | A, B | L9Z | — |
| 6SFG | Crystal structure of DHQ1 from salmonella typhi covalently modified by compound 9 | x-ray diffraction | A | FQZ, FSQ | — |
| 8B2B | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | x-ray diffraction | AAA, BBB | PVI, NA | 2 (best 0.46) |
| P24670 | AlphaFold monomer V2.0 prediction for 3-dehydroquinate dehydratase (P24670) | predicted | A | — | — |
Ligands
- FQZ · (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl) cyclohexane-1-carboxylic acid · in 3 records
- FSQ · (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid · in 2 records
- FT5 · (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid · in 2 records
- WPL · (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid · in 2 records
- L9Z · (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid · in 1 record
- NA · Sodium ion · in 1 record
- PVI · (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid · in 1 record
Experiment against prediction
- 1L9W chain C against the predicted model P24670: TM-score 1.00, RMSD 0.36 Å
- 1L9W chain C against the predicted model P24670: TM-score 1.00, RMSD 0.36 Å
- 1QFE chain A against the predicted model P24670: TM-score 1.00, RMSD 0.37 Å
- 1QFE chain A against the predicted model P24670: TM-score 1.00, RMSD 0.37 Å
- 1L9W chain A against the predicted model P24670: TM-score 1.00, RMSD 0.37 Å
- 1L9W chain A against the predicted model P24670: TM-score 1.00, RMSD 0.37 Å
- 1QFE chain B against the predicted model P24670: TM-score 1.00, RMSD 0.37 Å
- 1QFE chain B against the predicted model P24670: TM-score 1.00, RMSD 0.37 Å
- 4CLM chain B against the predicted model P24670: TM-score 1.00, RMSD 0.40 Å
- 4CLM chain B against the predicted model P24670: TM-score 1.00, RMSD 0.40 Å
Elsewhere
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