UniProt Q9UKK9
ADP-sugar pyrophosphatase (Q9UKK9)
ADP-sugar pyrophosphatase (UniProt Q9UKK9), EC 2.7.7.96, 3.6.1.13: 115 experimental structures and 1 predicted model on GenesisL1, 58 ligands bound, 200 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9UKK9
- Protein
- ADP-sugar pyrophosphatase
- EC
- 2.7.7.96, 3.6.1.13, 3.6.1.58
- Experimental structures
- 115
- Predicted models
- 1
- Ligands
- 58
- Pockets
- 200 · 43 records with a druggable one
Structures
116 records of Q9UKK9 in the MolNFT archive: 115 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2DSB | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 | x-ray diffraction | A, B, C, D | — | — |
| 2DSB | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 | x-ray diffraction | A, B, C, D | — | — |
| 2DSC | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and ADP-ribose | x-ray diffraction | A, B | — | — |
| 2DSC | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and ADP-ribose | x-ray diffraction | A, B | — | — |
| 2DSD | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and AMP | x-ray diffraction | A, B | — | — |
| 2DSD | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and AMP | x-ray diffraction | A, B | — | — |
| 3AC9 | Crystal structure of human NUDT5 complexed with 8-oxo-dGDP and manganese | x-ray diffraction | A, B | — | — |
| 3AC9 | Crystal structure of human NUDT5 complexed with 8-oxo-dgdp and manganese | x-ray diffraction | A, B | — | — |
| 3ACA | Crystal structure of human NUDT5 complexed with 8-oxo-dADP and manganese | x-ray diffraction | A, B | — | — |
| 3ACA | Crystal structure of human NUDT5 complexed with 8-oxo-dadp and manganese | x-ray diffraction | A, B | — | — |
| 3BM4 | Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with magnesium and AMPcpr | x-ray diffraction | A, B | — | — |
| 3BM4 | Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and ampcpr | x-ray diffraction | A, B | — | — |
| 3L85 | Crystal structure of human NUDT5 complexed with 8-oxo-dGMP | x-ray diffraction | A, B | — | — |
| 3L85 | Crystal structure of human NUDT5 complexed with 8-oxo-dgmp | x-ray diffraction | A, B | — | — |
| 5NQR | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | x-ray diffraction | A, B | 958 | 3 (best 0.71) |
| 5NQR | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | x-ray diffraction | A, B | 958 | — |
| 5NWH | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | x-ray diffraction | A, B | 9CH | — |
| 5NWH | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | x-ray diffraction | A, B | 9CH | — |
| 5QJ4 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, K04, CL | 4 (best 0.74) |
| 5QJ4 | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K04 | — |
| 5QJ5 | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with Z44592329 | x-ray diffraction | A, B, C, D | MG, CL, K0G | 5 (best 0.74) |
| 5QJ5 | Pandda analysis group deposition -- crystal structure of NUDT5 in complex with Z44592329 | x-ray diffraction | A, B, C, D | MG, K0G | — |
| 5QJ6 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, GQJ | 5 (best 0.73) |
| 5QJ6 | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, GQJ | — |
| 5QJ7 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, JMM, CL | 5 (best 0.72) |
| 5QJ7 | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, JMM | — |
| 5QJ8 | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, CL, ELQ | — |
| 5QJ9 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0D | 4 (best 0.72) |
| 5QJ9 | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K0D | — |
| 5QJA | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0A | 4 (best 0.72) |
| 5QJA | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K0A | — |
| 5QJB | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K07 | — |
| 5QJC | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, K0J, CL | 5 (best 0.73) |
| 5QJC | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K0J | — |
| 5QJD | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0M | 5 (best 0.72) |
| 5QJD | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K0M | — |
| 5QJE | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0P | 5 (best 0.72) |
| 5QJE | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0P | — |
| 5QJF | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0S | 4 (best 0.73) |
| 5QJF | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K0S | — |
| 5QJG | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0V | 5 (best 0.70) |
| 5QJG | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0V | — |
| 5QJH | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K0Y | 4 (best 0.73) |
| 5QJH | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K0Y | — |
| 5QJI | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K1A | — |
| 5QJJ | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, 6SU | 4 (best 0.73) |
| 5QJJ | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, 6SU | — |
| 5QJK | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K1D | 5 (best 0.73) |
| 5QJK | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K1D | — |
| 5QJL | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, JJM | 5 (best 0.73) |
| 5QJL | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, JJM | — |
| 5QJM | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K1G, CL | — |
| 5QJN | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K1J | 5 (best 0.75) |
| 5QJN | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K1J | — |
| 5QJO | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K41 | 4 (best 0.74) |
| 5QJO | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, K41 | — |
| 5QJP | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K1P | 5 (best 0.72) |
| 5QJP | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, CL, K1P | — |
| 5QJQ | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal… | x-ray diffraction | A, B, C, D | MG, CL, K1S | 5 (best 0.72) |
| 5QJQ | Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal… | x-ray diffraction | A, B, C, D | MG, CL, K1S | — |
56 records more on the page itself.
Ligands
- MG · Magnesium ion · in 96 records
- CL · Chloride ion · in 65 records
- 6SU · methyl 3-(methylsulfonylamino)benzoate · in 2 records
- 958 · 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione · in 2 records
- 9CH · 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione · in 2 records
- GQJ · methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate · in 2 records
- JH4 · N-methylpyrimidin-2-amine · in 2 records
- JJM · 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine · in 2 records
- JMM · [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl) methanone · in 2 records
- K04 · (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) · in 2 records
- K0A · (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone · in 2 records
- K0D · [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone · in 2 records
- K0G · N-phenyl-N'-pyridin-3-ylurea · in 2 records
- K0J · N-ethyl-1H-1,2,3-triazole-4-carboxamide · in 2 records
- K0M · 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide · in 2 records
- K0P · N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide · in 2 records
- K0S · N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide · in 2 records
- K0V · methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate · in 2 records
- K0Y · methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate · in 2 records
- K1D · 6-(azetidin-1-yl)-9H-purine · in 2 records
- K1J · (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine · in 2 records
- K1P · 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane · in 2 records
- K1S · N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine · in 2 records
- K1V · (3R)-1-acetylpiperidine-3-carboxamide · in 2 records
- K1Y · methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate · in 2 records
- K24 · N,2-dimethyl-1,3-thiazole-5-carboxamide · in 2 records
- K2P · 2-(trifluoromethoxy)benzoic acid · in 2 records
- K2V · (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine · in 2 records
- K31 · 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline · in 2 records
- K3A · N-(5-methyl-1H-pyrazol-3-yl)acetamide · in 2 records
Experiment against prediction
- 5QJS chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.28 Å
- 5QJA chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.28 Å
- 5QJK chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.28 Å
- 5QJL chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
- 5QJD chain C against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
- 5QJD chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
- 5QJK chain C against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
- 5QJT chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
- 5QJ6 chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
- 5QJE chain A against the predicted model Q9UKK9: TM-score 1.00, RMSD 0.29 Å
Elsewhere
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