UniProt A5U4N0
Adenosine kinase (A5U4N0)
Adenosine kinase (UniProt A5U4N0), EC 2.7.1.20: 12 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 14 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- A5U4N0
- Protein
- Adenosine kinase
- EC
- 2.7.1.20
- Experimental structures
- 12
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 14 · 5 records with a druggable one
Structures
13 records of A5U4N0 in the MolNFT archive: 12 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6C9N | Mycobacterium tuberculosis adenosine kinase bound to sangivamycin | x-ray diffraction | A, B | SGV, SO4, NA | — |
| 6C9N | Mycobacterium tuberculosis adenosine kinase bound to sangivamycin | x-ray diffraction | A, B | SGV, SO4, NA | — |
| 6C9P | Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside | x-ray diffraction | A, B | SO4, NA, MTP | 2 (best 0.77) |
| 6C9P | Mycobacterium tuberculosis adenosine kinase bound to 6- methylmercaptopurine riboside | x-ray diffraction | A, B | SO4, NA, MTP | — |
| 6C9Q | Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine | x-ray diffraction | A | 5N5 | 3 (best 0.73) |
| 6C9Q | Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine | x-ray diffraction | A | 5N5 | — |
| 6C9R | Mycobacterium tuberculosis adenosine kinase bound to… | x-ray diffraction | A, B | ERJ, NA | 4 (best 0.78) |
| 6C9R | Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2… | x-ray diffraction | A, B | ERJ, NA | — |
| 6C9S | Mycobacterium tuberculosis adenosine kinase bound to… | x-ray diffraction | A, B | ERP, SO4, NA | 3 (best 0.76) |
| 6C9S | Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2… | x-ray diffraction | A, B | ERP, SO4, NA | — |
| 6C9V | Mycobacterium tuberculosis adenosine kinase bound to… | x-ray diffraction | A, B | ERS, SO4, NA | 2 (best 0.77) |
| 6C9V | Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2… | x-ray diffraction | A, B | ERS, SO4, NA | — |
| A5U4N0 | AlphaFold monomer V2.0 prediction for adenosine kinase (A5U4N0) | predicted | A | — | — |
Ligands
- NA · Sodium ion · in 10 records
- SO4 · Sulfate ion · in 8 records
- 5N5 · 5'-amino-5'-deoxyadenosine · in 2 records
- ERJ · 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine · in 2 records
- ERP · 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine · in 2 records
- ERS · (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3, 4-diol · in 2 records
- MTP · 2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol · in 2 records
- SGV · Sangivamycin · in 2 records
Experiment against prediction
- 6C9N chain A against the predicted model A5U4N0: TM-score 0.99, RMSD 0.59 Å
- 6C9N chain A against the predicted model A5U4N0: TM-score 0.99, RMSD 0.59 Å
- 6C9N chain B against the predicted model A5U4N0: TM-score 0.99, RMSD 0.58 Å
- 6C9N chain B against the predicted model A5U4N0: TM-score 0.99, RMSD 0.58 Å
- 6C9S chain B against the predicted model A5U4N0: TM-score 0.99, RMSD 0.61 Å
- 6C9S chain B against the predicted model A5U4N0: TM-score 0.99, RMSD 0.61 Å
- 6C9P chain A against the predicted model A5U4N0: TM-score 0.99, RMSD 0.62 Å
- 6C9P chain A against the predicted model A5U4N0: TM-score 0.99, RMSD 0.62 Å
- 6C9S chain A against the predicted model A5U4N0: TM-score 0.99, RMSD 0.62 Å
- 6C9S chain A against the predicted model A5U4N0: TM-score 0.99, RMSD 0.62 Å
Elsewhere
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