UniProt Q8NFU5
Inositol polyphosphate multikinase (Q8NFU5)
Inositol polyphosphate multikinase (UniProt Q8NFU5), EC 2.7.1.140, 2.7.1.151: 28 experimental structures and 1 predicted model on GenesisL1, 23 ligands bound, 33 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q8NFU5
- Protein
- Inositol polyphosphate multikinase
- EC
- 2.7.1.140, 2.7.1.151, 2.7.1.153
- Experimental structures
- 28
- Predicted models
- 1
- Ligands
- 23
- Pockets
- 33 · 16 records with a druggable one
Structures
29 records of Q8NFU5 in the MolNFT archive: 28 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5W2G | Crystal structure of the core catalytic domain of human inositol phosphate multikinase | x-ray diffraction | A | — | 2 (best 0.49) |
| 5W2G | Crystal structure of the core catalytic domain of human inositol phosphate multikinase | x-ray diffraction | A | — | — |
| 5W2H | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | MG, ADP, I3P, PO4 | 2 (best 0.54) |
| 5W2H | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | MG, ADP, I3P, PO4 | — |
| 5W2I | Crystal structure of the core catalytic domain of human inositol phosphate multikinase soaked with… | x-ray diffraction | A | MG, ADP, I3P | 2 (best 0.54) |
| 5W2I | Crystal structure of the core catalytic domain of human inositol phosphate multikinase soaked with… | x-ray diffraction | A | MG, ADP, I3P | — |
| 6E7F | Crystal Structure of Human Inositol Polyphosphate Multikinase (IPMK) Catalytic Core Domain | x-ray diffraction | A, B | SO4 | 3 (best 0.72) |
| 6E7F | Crystal structure of human inositol polyphosphate multikinase (ipmk) catalytic core domain | x-ray diffraction | A, B | SO4 | — |
| 6M88 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | MYC | 1 (best 0.61) |
| 6M88 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | MYC | — |
| 6M89 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | QUE | — |
| 6M8A | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | LU2 | — |
| 6M8B | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | KMP | — |
| 6M8C | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | IRH | — |
| 6M8D | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | J8D | 2 (best 0.54) |
| 6M8D | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | J8D | — |
| 6M8E | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | J8G | — |
| 8V6W | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YHE | 2 (best 0.54) |
| 8V6X | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YHH | 2 (best 0.56) |
| 8V6Y | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YHN | 2 (best 0.54) |
| 8V71 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YI8 | 2 (best 0.54) |
| 8V72 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YIB, SO4 | 2 (best 0.55) |
| 8V73 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YIG | 2 (best 0.55) |
| 8V74 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YJQ | 2 (best 0.55) |
| 8V75 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YIK, SO4 | 1 (best 0.61) |
| 8V77 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YJ3 | 2 (best 0.55) |
| 8V78 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YJB | 2 (best 0.55) |
| 8V79 | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex… | x-ray diffraction | A | YJH | 2 (best 0.55) |
| Q8NFU5 | AlphaFold monomer V2.0 prediction for inositol polyphosphate multikinase (Q8NFU5) | predicted | A | — | — |
Ligands
- ADP · Adenosine-5'-diphosphate · in 4 records
- I3P · D-myo-inositol-1,4,5-triphosphate · in 4 records
- MG · Magnesium ion · in 4 records
- SO4 · Sulfate ion · in 4 records
- J8D · 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one · in 2 records
- MYC · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · in 2 records
- PO4 · Phosphate ion · in 2 records
- IRH · isorhamnetin · in 1 record
- J8G · 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one · in 1 record
- KMP · 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one · in 1 record
- LU2 · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one · in 1 record
- QUE · 3,5,7,3',4'-pentahydroxyflavone · in 1 record
- YHE · (2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid · in 1 record
- YHH · (1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid · in 1 record
- YHN · 3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid · in 1 record
- YI8 · (5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole · in 1 record
- YIB · (5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole · in 1 record
- YIG · (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole · in 1 record
- YIK · N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide · in 1 record
- YJ3 · (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole · in 1 record
- YJB · (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole · in 1 record
- YJH · (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole · in 1 record
- YJQ · N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide · in 1 record
Experiment against prediction
- 5W2H chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.47 Å
- 5W2H chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.47 Å
- 8V6Y chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.49 Å
- 8V71 chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.55 Å
- 6M8E chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.61 Å
- 8V6W chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.58 Å
- 8V73 chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.62 Å
- 8V78 chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.63 Å
- 8V77 chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.63 Å
- 8V75 chain A against the predicted model Q8NFU5: TM-score 0.99, RMSD 0.66 Å
Elsewhere
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