UniProt P13449
Nitrile hydratase subunit beta (P13449)
Nitrile hydratase subunit beta (UniProt P13449): 56 experimental structures and 1 predicted model on GenesisL1, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P13449
- Protein
- Nitrile hydratase subunit beta
- Experimental structures
- 56
- Predicted models
- 1
- Pockets
- 2 · 0 records with a druggable one
Structures
57 records of P13449 in the MolNFT archive: 56 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1AHJ | Nitrile hydratase | x-ray diffraction | B, D, F, H | — | — |
| 1AHJ | Nitrile hydratase | x-ray diffraction | B, D, F, H | — | — |
| 2AHJ | Nitrile hydratase complexed with nitric oxide | x-ray diffraction | B, D | — | — |
| 2AHJ | Nitrile hydratase complexed with nitric oxide | x-ray diffraction | B, D | — | — |
| 2CYZ | photo-activation state of Fe-type NHase in anaerobic condition | x-ray diffraction | B | — | — |
| 2CYZ | Photo-activation state of fe-type nhase in anaerobic condition | x-ray diffraction | B | — | — |
| 2CZ0 | photo-activation state of Fe-type NHase in aerobic condition | x-ray diffraction | B | — | — |
| 2CZ0 | Photo-activation state of fe-type nhase in aerobic condition | x-ray diffraction | B | — | — |
| 2CZ1 | photo-activation state of Fe-type NHase with n-BA in anaerobic condition | x-ray diffraction | B | — | — |
| 2CZ1 | Photo-activation state of fe-type nhase with N-ba in anaerobic condition | x-ray diffraction | B | — | — |
| 2CZ6 | Complex of Inactive Fe-type NHase with Cyclohexyl isocyanide | x-ray diffraction | B | — | — |
| 2CZ6 | Complex of inactive fe-type nhase with cyclohexyl isocyanide | x-ray diffraction | B | — | — |
| 2CZ7 | Fe-type NHase photo-activated for 75min at 105K | x-ray diffraction | B | — | — |
| 2CZ7 | Fe-type nhase photo-activated for 75MIN at 105K | x-ray diffraction | B | — | — |
| 2D0Q | Complex of Fe-type NHase with Cyclohexyl isocyanide, photo-activated for 1hr at 277K | x-ray diffraction | B | — | — |
| 2D0Q | Complex of fe-type nhase with cyclohexyl isocyanide, photo- activated for 1HR at 277K | x-ray diffraction | B | — | — |
| 2QDY | Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270 | x-ray diffraction | B | — | — |
| 2QDY | Crystal structure of fe-type nhase from rhodococcus erythropolis AJ270 | x-ray diffraction | B | — | — |
| 2ZCF | Mutational study on Alpha-Gln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771 | x-ray diffraction | B | — | — |
| 2ZCF | Mutational study on alpha-GLN90 of fe-type nitrile hydratase from rhodococcus sp. N771 | x-ray diffraction | B | — | — |
| 2ZPB | nitrosylated Fe-type nitrile hydratase | x-ray diffraction | B | — | — |
| 2ZPB | Nitrosylated fe-type nitrile hydratase | x-ray diffraction | B | — | — |
| 2ZPE | nitrosylated Fe-type nitrile hydratase with tert-butylisonitrile | x-ray diffraction | B | — | — |
| 2ZPE | Nitrosylated fe-type nitrile hydratase with tert- butylisonitrile | x-ray diffraction | B | — | — |
| 2ZPF | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 18min at 293K | x-ray diffraction | B | — | — |
| 2ZPF | Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for 18MIN at 293K | x-ray diffraction | B | — | — |
| 2ZPG | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 120min at 293K | x-ray diffraction | B | — | — |
| 2ZPG | Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for 120MIN at 293K | x-ray diffraction | B | — | — |
| 2ZPH | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 340min at 293K | x-ray diffraction | B | — | — |
| 2ZPH | Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for 340MIN at 293K | x-ray diffraction | B | — | — |
| 2ZPI | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 440min at 293K | x-ray diffraction | B | — | — |
| 2ZPI | Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for 440MIN at 293K | x-ray diffraction | B | — | — |
| 3A8G | Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetonitrile | x-ray diffraction | B | — | — |
| 3A8G | Crystal structure of nitrile hydratase mutant S113A complexed with trimethylacetonitrile | x-ray diffraction | B | — | — |
| 3A8H | Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetamide | x-ray diffraction | B | — | — |
| 3A8H | Crystal structure of nitrile hydratase mutant S113A complexed with trimethylacetamide | x-ray diffraction | B | — | — |
| 3A8L | Crystal structure of photo-activation state of Nitrile Hydratase mutant S113A | x-ray diffraction | B | — | — |
| 3A8L | Crystal structure of photo-activation state of nitrile hydratase mutant S113A | x-ray diffraction | B | — | — |
| 3A8M | Crystal structure of Nitrile Hydratase mutant Y72F complexed with Trimethylacetonitrile | x-ray diffraction | B | — | — |
| 3A8M | Crystal structure of nitrile hydratase mutant Y72F complexed with trimethylacetonitrile | x-ray diffraction | B | — | — |
| 3A8O | Crystal structure of Nitrile Hydratase complexed with Trimethylacetamide | x-ray diffraction | B | — | — |
| 3A8O | Crystal structure of nitrile hydratase complexed with trimethylacetamide | x-ray diffraction | B | — | — |
| 3WVD | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3WVD | Crystal structure of nitrile hydratase mutant BR56K complexed with trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3WVE | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, before… | x-ray diffraction | B | — | — |
| 3WVE | Crystal structure of nitrile hydratase mutant BR56K complexed with trimethylacetonitrile, before… | x-ray diffraction | B | — | — |
| 3X20 | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X20 | Crystal structure of nitrile hydratase mutant BR56K complexed with trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X24 | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X24 | Crystal structure of nitrile hydratase mutant BR56K complexed with trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X25 | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X25 | Crystal structure of nitrile hydratase mutant BR56K complexed with trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X26 | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X26 | Crystal structure of nitrile hydratase mutant BR56K complexed with trimethylacetonitrile… | x-ray diffraction | B | — | — |
| 3X28 | Crystal structure of Nitrile Hydratase mutant bR56K | x-ray diffraction | B | — | — |
| 3X28 | Crystal structure of nitrile hydratase mutant BR56K | x-ray diffraction | B | — | — |
| P13449 | AlphaFold monomer V2.0 prediction for nitrile hydratase subunit beta (P13449) | predicted | A | — | 2 (best 0.39) |
Experiment against prediction
- 1AHJ chain B against the predicted model P13449: TM-score 1.00, RMSD 0.20 Å
- 1AHJ chain B against the predicted model P13449: TM-score 1.00, RMSD 0.20 Å
- 2AHJ chain B against the predicted model P13449: TM-score 1.00, RMSD 0.37 Å
- 2AHJ chain B against the predicted model P13449: TM-score 1.00, RMSD 0.37 Å
- 2ZPG chain B against the predicted model P13449: TM-score 1.00, RMSD 0.39 Å
- 2ZPG chain B against the predicted model P13449: TM-score 1.00, RMSD 0.39 Å
- 2ZPB chain B against the predicted model P13449: TM-score 1.00, RMSD 0.39 Å
- 2ZPB chain B against the predicted model P13449: TM-score 1.00, RMSD 0.39 Å
- 3A8H chain B against the predicted model P13449: TM-score 1.00, RMSD 0.39 Å
- 3A8H chain B against the predicted model P13449: TM-score 1.00, RMSD 0.39 Å
Elsewhere
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