MolNFT v1 · #262165 · protein
AlphaFold monomer V2.0 prediction for methylxanthine N1-demethylase ndma (H9N289)
H9N289: “AlphaFold monomer V2.0 prediction for methylxanthine N1-demethylase ndma (H9N289)”. 4 pockets (best druggability 0.74). MolNFT v1 #262165 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- Accession
- H9N289
- Type
- protein
- Length
- 351 residues
- Chains
- 1
- Collection
- MolNFT v1 / AlphaFold
- Contract
- 0xBf7491af3407816DFa88a5EA4c82e8A2B1D721eD
- Owner
- 0x1f017c069141048125D6750ba3Cef818EC174268
- Molecule
- Methylxanthine N1-demethylase ndma
- UniProt
- H9N289
- Pockets
- 4 · best druggability 0.74
Structure
1 distinct chain · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methylxanthine N1-demethylase ndma | protein | 351 | 23% helix, 30% strand | H9N289 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.74 | 0.89 | 33 | empty |
| 2 | 227 | 0.56 | 0.79 | 27 | empty |
| 3 | 136 | 0.45 | 0.77 | 17 | empty |
| 4 | 82 | 0.43 | 0.80 | 14 | empty |
Compared structures
- 6ICO · Pseudomonas putida CBB5 ndma with theophylline · an experimental structure of the same protein · chain A against A, TM-score 0.97
- 6ICN · Pseudomonas putida CBB5 ndma with caffeine · an experimental structure of the same protein · chain A against A, TM-score 0.97
- 6ICP · Pseudomonas putida CBB5 ndma ql mutant with caffeine · an experimental structure of the same protein · chain A against A, TM-score 0.93
- 6ICP · Pseudomonas putida CBB5 NdmA QL mutant with caffeine · an experimental structure of the same protein · chain A against A, TM-score 0.93
- 6ICQ · Pseudomonas putida CBB5 NdmA QL mutant with theobromine · an experimental structure of the same protein · chain A against C, TM-score 0.93
- 6ICQ · Pseudomonas putida CBB5 ndma ql mutant with theobromine · an experimental structure of the same protein · chain A against C, TM-score 0.93
- 6ICM · Pseudomonas putida CBB5 ndma with ferredoxin domain of ndmd · an experimental structure of the same protein · chain A against A, TM-score 0.93
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt H9N289
- Elsewhere: UniProt H9N289 · AlphaFold DB H9N289
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