UniProt Q8X1D8
Nitroalkane oxidase (Q8X1D8)
Nitroalkane oxidase (UniProt Q8X1D8), EC 1.7.3.1: 18 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 136 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q8X1D8
- Protein
- Nitroalkane oxidase
- EC
- 1.7.3.1
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 136 · 8 records with a druggable one
Structures
19 records of Q8X1D8 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2C0U | Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover | x-ray diffraction | A, B, C, D | — | — |
| 2C0U | Crystal structure of a covalent complex of nitroalkane oxidase trapped during substrate turnover | x-ray diffraction | A, B, C, D | — | — |
| 2C12 | Crystal Structure of Nitroalkane Oxidase in Complex with Spermine, a Competitive Inhibitor | x-ray diffraction | A, B, C, D, E, F | — | — |
| 2C12 | Crystal structure of nitroalkane oxidase in complex with spermine, a competitive inhibitor | x-ray diffraction | A, B, C, D, E, F | — | — |
| 2REH | Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the… | x-ray diffraction | A, B, C, D | FAD | 20 (best 0.86) |
| 2REH | Mechanistic and structural analyses of the roles of ARG409 and ASP402 in the reaction of the… | x-ray diffraction | A, B, C, D | — | — |
| 2ZAF | Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the… | x-ray diffraction | A, B, C, D | FAD | 20 (best 0.86) |
| 2ZAF | Mechanistic and structural analyses of the roles of ARG409 and ASP402 in the reaction of the… | x-ray diffraction | A, B, C, D | — | — |
| 3D9D | Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane | x-ray diffraction | A, B, C, D | FAD, N6C | 17 (best 0.88) |
| 3D9D | Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane | x-ray diffraction | A, B, C, D | — | — |
| 3D9E | Nitroalkane oxidase: active site mutant D402N crystallized with 1-nitrooctane | x-ray diffraction | A, B, C, D | FAD, N8C | 18 (best 0.86) |
| 3D9E | Nitroalkane oxidase: active site mutant D402N crystallized with 1- nitrooctane | x-ray diffraction | A, B, C, D | — | — |
| 3D9F | Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane | x-ray diffraction | A, B, C, D | FAD, N6C | 18 (best 0.88) |
| 3D9F | Nitroalkane oxidase: active site mutant S276A crystallized with 1- nitrohexane | x-ray diffraction | A, B, C, D | — | — |
| 3D9G | Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD | x-ray diffraction | A, B, C, D | FAD, CNX | 19 (best 0.86) |
| 3D9G | Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD | x-ray diffraction | A, B, C, D | — | — |
| 3FCJ | Nitroalkane oxidase: mutant402N crystallized with nitroethane | x-ray diffraction | A, B, C, D | FAD, NIE | 20 (best 0.86) |
| 3FCJ | Nitroalkane oxidase: MUTANT402N crystallized with nitroethane | x-ray diffraction | A, B, C, D | — | — |
| Q8X1D8 | AlphaFold monomer V2.0 prediction for nitroalkane oxidase (Q8X1D8) | predicted | A | — | 4 (best 0.76) |
Ligands
Experiment against prediction
- 3D9D chain B against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.16 Å
- 3D9D chain B against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.16 Å
- 3D9D chain A against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.17 Å
- 3D9D chain A against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.17 Å
- 3D9E chain A against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.18 Å
- 3D9E chain A against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.18 Å
- 3D9F chain A against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.19 Å
- 3D9F chain A against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.19 Å
- 3D9F chain C against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.19 Å
- 3D9F chain C against the predicted model Q8X1D8: TM-score 1.00, RMSD 0.19 Å
Elsewhere
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