UniProt P0A3G2
Haloalkane dehalogenase (P0A3G2)
Haloalkane dehalogenase (UniProt P0A3G2), EC 3.8.1.5: 31 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 7 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0A3G2
- Protein
- Haloalkane dehalogenase
- EC
- 3.8.1.5
- Experimental structures
- 31
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 7 · 3 records with a druggable one
Structures
32 records of P0A3G2 in the MolNFT archive: 31 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2V9Z | Structure of the Rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity | x-ray diffraction | A | — | — |
| 2V9Z | Structure of the rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity | x-ray diffraction | A | — | — |
| 3FBW | Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant C176Y | x-ray diffraction | A | — | — |
| 3FBW | Structure of rhodococcus rhodochrous haloalkane dehalogenase dhaa mutant C176Y | x-ray diffraction | A | — | — |
| 3RK4 | Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 | x-ray diffraction | A | — | — |
| 3RK4 | Structure of rhodococcus rhodochrous haloalkane dehalogenase mutant DHAA31 | x-ray diffraction | A | — | — |
| 3SK0 | structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12 | x-ray diffraction | A | — | — |
| 3SK0 | Structure of rhodococcus rhodochrous haloalkane dehalogenase dhaa mutant DHAA12 | x-ray diffraction | A | — | — |
| 4E46 | Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol | x-ray diffraction | A | — | — |
| 4E46 | Structure of rhodococcus rhodochrous haloalkane dehalogenase dhaa in complex with 2-propanol | x-ray diffraction | A | — | — |
| 4F5Z | Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (L95V, A172V). | x-ray diffraction | A | — | — |
| 4F5Z | Crystal structure of rhodococcus rhodochrous haloalkane dehalogenase mutant (L95V, A172V). | x-ray diffraction | A | — | — |
| 4F60 | Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V… | x-ray diffraction | A | — | — |
| 4F60 | Crystal structure of rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V… | x-ray diffraction | A | — | — |
| 4FWB | Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 in complex with 1, 2, 3… | x-ray diffraction | A | — | — |
| 4FWB | Structure of rhodococcus rhodochrous haloalkane dehalogenase mutant DHAA31 in complex with 1, 2, 3… | x-ray diffraction | A | — | — |
| 5FLK | Structure of haloalkane dehalogenase variant DhaA101 | x-ray diffraction | A | — | — |
| 5FLK | Structure of haloalkane dehalogenase variant DHAA101 | x-ray diffraction | A | — | — |
| 5UXZ | X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand | x-ray diffraction | A, B | 8PM, CL | 3 (best 0.70) |
| 5UXZ | X-ray crystal structure of halotag bound to the P9 benzothiadiazole fluorogenic ligand | x-ray diffraction | A, B | 8PM, CL | — |
| 5UY1 | X-ray crystal structure of apo Halotag | x-ray diffraction | A, B | CL | — |
| 5UY1 | X-ray crystal structure of apo halotag | x-ray diffraction | A, B | CL | — |
| 5VNP | X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand | x-ray diffraction | A, B | 9FM, CL | 3 (best 0.65) |
| 5VNP | X-ray crystal structure of halotag bound to the P1 benzoxadiazole fluorogenic ligand | x-ray diffraction | A, B | 9FM, CL | — |
| 6SP5 | Structure of hyperstable haloalkane dehalogenase variant DhaA115 | x-ray diffraction | A, B | SCN | 1 (best 0.60) |
| 6SP5 | Structure of hyperstable haloalkane dehalogenase variant DHAA115 | x-ray diffraction | A, B | SCN | — |
| 6SP8 | Structure of hyperstable haloalkane dehalogenase variant DHAA115 prepared by the 'soak-and-freeze'… | x-ray diffraction | A, B | KR, SCN | — |
| 7O3O | Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus… | x-ray diffraction | A | ETA, CL | — |
| 7O3O | Structure of haloalkane dehalogenase mutant DHAA80(T148L, G171Q, A172V, C176F) from rhodococcus… | x-ray diffraction | A | ETA, CL | — |
| 7O8B | Structure of haloalkane dehalogenase variant DhaA80 from Rhodococcus rhodochrous | x-ray diffraction | A | V5B | — |
| 7O8B | Structure of haloalkane dehalogenase variant DHAA80 from rhodococcus rhodochrous | x-ray diffraction | A | V5B | — |
| P0A3G2 | AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (P0A3G2) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 8 records
- SCN · Thiocyanate ion · in 3 records
- 8PM · N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide · in 2 records
- 9FM · N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide · in 2 records
- ETA · Ethanolamine · in 2 records
- V5B · methyl sulfate · in 2 records
- KR · Krypton · in 1 record
Experiment against prediction
- 7O8B chain A against the predicted model P0A3G2: TM-score 1.00, RMSD 0.31 Å
- 7O8B chain A against the predicted model P0A3G2: TM-score 1.00, RMSD 0.31 Å
- 6SP8 chain B against the predicted model P0A3G2: TM-score 1.00, RMSD 0.32 Å
- 7O3O chain A against the predicted model P0A3G2: TM-score 1.00, RMSD 0.32 Å
- 7O3O chain A against the predicted model P0A3G2: TM-score 1.00, RMSD 0.32 Å
- 5VNP chain B against the predicted model P0A3G2: TM-score 1.00, RMSD 0.33 Å
- 5VNP chain B against the predicted model P0A3G2: TM-score 1.00, RMSD 0.33 Å
- 4F60 chain A against the predicted model P0A3G2: TM-score 1.00, RMSD 0.34 Å
- 4F60 chain A against the predicted model P0A3G2: TM-score 1.00, RMSD 0.34 Å
- 6SP5 chain B against the predicted model P0A3G2: TM-score 1.00, RMSD 0.35 Å
Elsewhere
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