UniProt H9N289
Methylxanthine N1-demethylase NdmA (H9N289)
Methylxanthine N1-demethylase NdmA (UniProt H9N289), EC 1.14.13.178: 12 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 57 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- H9N289
- Protein
- Methylxanthine N1-demethylase NdmA
- EC
- 1.14.13.178
- Experimental structures
- 12
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 57 · 6 records with a druggable one
Structures
13 records of H9N289 in the MolNFT archive: 12 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6ICK | Pseudomonas putida CBB5 NdmA | x-ray diffraction | A, B, C | FES, FE | 12 (best 0.76) |
| 6ICK | Pseudomonas putida CBB5 ndma | x-ray diffraction | A, B, C | FES, FE | — |
| 6ICM | Pseudomonas putida CBB5 NdmA with ferredoxin domain of NdmD | x-ray diffraction | A, B, C | FES, FE | 12 (best 0.73) |
| 6ICM | Pseudomonas putida CBB5 ndma with ferredoxin domain of ndmd | x-ray diffraction | A, B, C | FES, FE | — |
| 6ICN | Pseudomonas putida CBB5 NdmA with caffeine | x-ray diffraction | A, B, C | FES, CO, CFF | 9 (best 0.80) |
| 6ICN | Pseudomonas putida CBB5 ndma with caffeine | x-ray diffraction | A, B, C | FES, CO, CFF | — |
| 6ICO | Pseudomonas putida CBB5 NdmA with theophylline | x-ray diffraction | A, B, C | FES, CO, TEP | 10 (best 0.81) |
| 6ICO | Pseudomonas putida CBB5 ndma with theophylline | x-ray diffraction | A, B, C | FES, CO, TEP | — |
| 6ICP | Pseudomonas putida CBB5 NdmA QL mutant with caffeine | x-ray diffraction | A, B, C | FES, FE, CFF | 10 (best 0.77) |
| 6ICP | Pseudomonas putida CBB5 ndma ql mutant with caffeine | x-ray diffraction | A, B, C | FES, FE, CFF | — |
| 6ICQ | Pseudomonas putida CBB5 NdmA QL mutant with theobromine | x-ray diffraction | A, B, C | FES, FE, 37T | — |
| 6ICQ | Pseudomonas putida CBB5 ndma ql mutant with theobromine | x-ray diffraction | A, B, C | FES, FE, 37T | — |
| H9N289 | AlphaFold monomer V2.0 prediction for methylxanthine N1-demethylase ndma (H9N289) | predicted | A | — | 4 (best 0.74) |
Ligands
Experiment against prediction
- 6ICO chain C against the predicted model H9N289: TM-score 0.99, RMSD 0.79 Å
- 6ICN chain C against the predicted model H9N289: TM-score 0.99, RMSD 0.80 Å
- 6ICO chain A against the predicted model H9N289: TM-score 0.99, RMSD 0.82 Å
- 6ICO chain A against the predicted model H9N289: TM-score 0.99, RMSD 0.82 Å
- 6ICN chain A against the predicted model H9N289: TM-score 0.99, RMSD 0.82 Å
- 6ICN chain A against the predicted model H9N289: TM-score 0.99, RMSD 0.82 Å
- 6ICM chain A against the predicted model H9N289: TM-score 0.99, RMSD 0.86 Å
- 6ICM chain A against the predicted model H9N289: TM-score 0.99, RMSD 0.86 Å
- 6ICN chain B against the predicted model H9N289: TM-score 0.99, RMSD 0.84 Å
- 6ICO chain B against the predicted model H9N289: TM-score 0.99, RMSD 0.84 Å
Elsewhere
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