UniProt Q52086
(R)-2-haloacid dehalogenase (Q52086)
(R)-2-haloacid dehalogenase (UniProt Q52086), EC 3.8.1.9: 8 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 92 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q52086
- Protein
- (R)-2-haloacid dehalogenase
- EC
- 3.8.1.9
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 92 · 8 records with a druggable one
Structures
9 records of Q52086 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5GZX | The complex structure of D-2-haloacid dehalogenase mutant with D-2-CPA | x-ray diffraction | A, B, C, D | RCI | 14 (best 0.71) |
| 5GZX | The complex structure of D-2-haloacid dehalogenase mutant with D-2-cpa | x-ray diffraction | A, B, C, D | RCI | 14 (best 0.71) |
| 5GZY | The complex structure of D-2-haloacid dehalogenase with L-LA | x-ray diffraction | A, B, C, D | 2OP | 10 (best 0.73) |
| 5GZY | The complex structure of D-2-haloacid dehalogenase with L-la | x-ray diffraction | A, B, C, D | 2OP | 10 (best 0.73) |
| 5H00 | The crystal structure of D-2-haloacid dehalogenase | x-ray diffraction | A, B, C, D | — | 10 (best 0.70) |
| 5H00 | The crystal structure of D-2-haloacid dehalogenase | x-ray diffraction | A, B, C, D | — | 10 (best 0.70) |
| 5H01 | The crystal structure of D-2-halacid dehalogenase mutant | x-ray diffraction | A, B, C, D | — | 11 (best 0.74) |
| 5H01 | The crystal structure of D-2-halacid dehalogenase mutant | x-ray diffraction | A, B, C, D | — | 11 (best 0.74) |
| Q52086 | AlphaFold monomer V2.0 prediction for (R)-2-haloacid dehalogenase (Q52086) | predicted | A | — | 2 (best 0.46) |
Ligands
Experiment against prediction
- 5GZY chain C against the predicted model Q52086: TM-score 0.99, RMSD 0.80 Å
- 5H00 chain C against the predicted model Q52086: TM-score 0.99, RMSD 0.80 Å
- 5H00 chain C against the predicted model Q52086: TM-score 0.99, RMSD 0.80 Å
- 5GZY chain B against the predicted model Q52086: TM-score 0.99, RMSD 0.80 Å
- 5GZY chain B against the predicted model Q52086: TM-score 0.99, RMSD 0.80 Å
- 5GZY chain D against the predicted model Q52086: TM-score 0.99, RMSD 0.81 Å
- 5GZX chain A against the predicted model Q52086: TM-score 0.98, RMSD 0.82 Å
- 5GZX chain A against the predicted model Q52086: TM-score 0.98, RMSD 0.82 Å
- 5H01 chain A against the predicted model Q52086: TM-score 0.98, RMSD 0.82 Å
- 5H01 chain A against the predicted model Q52086: TM-score 0.98, RMSD 0.82 Å
Elsewhere
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