UniProt Q9BRQ3
Uridine diphosphate glucose pyrophosphatase NUDT22 (Q9BRQ3)
Uridine diphosphate glucose pyrophosphatase NUDT22 (UniProt Q9BRQ3), EC 3.6.1.45: 62 experimental structures and 1 predicted model on GenesisL1, 31 ligands bound, 66 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q9BRQ3
- Protein
- Uridine diphosphate glucose pyrophosphatase NUDT22
- EC
- 3.6.1.45
- Experimental structures
- 62
- Predicted models
- 1
- Ligands
- 31
- Pockets
- 66 · 30 records with a druggable one
Structures
63 records of Q9BRQ3 in the MolNFT archive: 62 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5LF9 | Crystal structure of human NUDT22 | x-ray diffraction | A | — | 1 (best 0.69) |
| 5LF9 | Crystal structure of human NUDT22 | x-ray diffraction | A | — | — |
| 5LOR | human NUDT22 | x-ray diffraction | A, B | UPG | 5 (best 0.79) |
| 5LOR | Human NUDT22 | x-ray diffraction | A, B | UPG | — |
| 5LOU | human NUDT22 | x-ray diffraction | A, B | PO4 | 4 (best 0.79) |
| 5LOU | Human NUDT22 | x-ray diffraction | A, B | PO4 | — |
| 5R50 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13371a | x-ray diffraction | A | RY4 | 2 (best 0.69) |
| 5R50 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13371A | x-ray diffraction | A | RY4 | — |
| 5R51 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14003a | x-ray diffraction | A | RU4 | 2 (best 0.68) |
| 5R51 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N14003A | x-ray diffraction | A | RU4 | — |
| 5R52 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14004a | x-ray diffraction | A | GQJ | 2 (best 0.69) |
| 5R52 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N14004A | x-ray diffraction | A | GQJ | — |
| 5R53 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13854a | x-ray diffraction | A | RYG | 2 (best 0.69) |
| 5R53 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13854A | x-ray diffraction | A | RYG | — |
| 5R54 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13582a | x-ray diffraction | A | RYM | 2 (best 0.68) |
| 5R54 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13582A | x-ray diffraction | A | RYM | — |
| 5R55 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13369a | x-ray diffraction | A | RYP | 2 (best 0.69) |
| 5R55 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13369A | x-ray diffraction | A | RYP | — |
| 5R56 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13688a | x-ray diffraction | A | S07 | 2 (best 0.69) |
| 5R56 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13688A | x-ray diffraction | A | S07 | — |
| 5R57 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N08253b | x-ray diffraction | A | S0P | 2 (best 0.67) |
| 5R57 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N08253B | x-ray diffraction | A | S0P | — |
| 5R58 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13542a | x-ray diffraction | A | S0S | 2 (best 0.68) |
| 5R58 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13542A | x-ray diffraction | A | S0S | — |
| 5R59 | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13441a | x-ray diffraction | A | 6SU | 2 (best 0.69) |
| 5R59 | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13441A | x-ray diffraction | A | 6SU | — |
| 5R5A | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13663a | x-ray diffraction | A | S0V | 2 (best 0.68) |
| 5R5A | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13663A | x-ray diffraction | A | S0V | — |
| 5R5B | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13725a | x-ray diffraction | A | S1G | 2 (best 0.68) |
| 5R5B | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13725A | x-ray diffraction | A | S1G | — |
| 5R5C | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13956a | x-ray diffraction | A | GQP | 2 (best 0.69) |
| 5R5C | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13956A | x-ray diffraction | A | GQP | — |
| 5R5D | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13564a | x-ray diffraction | A | S1J | 2 (best 0.68) |
| 5R5D | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13564A | x-ray diffraction | A | S1J | — |
| 5R5E | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13848a | x-ray diffraction | A | GV1 | 2 (best 0.68) |
| 5R5E | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13848A | x-ray diffraction | A | GV1 | — |
| 5R5F | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13793a | x-ray diffraction | A | N08 | 2 (best 0.69) |
| 5R5F | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13793A | x-ray diffraction | A | N08 | — |
| 5R5G | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13707a | x-ray diffraction | A | S1M | 2 (best 0.69) |
| 5R5G | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13707A | x-ray diffraction | A | S1M | — |
| 5R5H | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13706A | x-ray diffraction | A | JOV | — |
| 5R5I | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N06325b | x-ray diffraction | A | S1V | 2 (best 0.67) |
| 5R5I | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N06325B | x-ray diffraction | A | S1V | — |
| 5R5J | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13964a | x-ray diffraction | A | MH5 | 3 (best 0.69) |
| 5R5J | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13964A | x-ray diffraction | A | MH5 | — |
| 5R5K | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13960a | x-ray diffraction | A | S2J | 2 (best 0.69) |
| 5R5K | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13960A | x-ray diffraction | A | S2J | — |
| 5R5L | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13589a | x-ray diffraction | A | S2S | 2 (best 0.68) |
| 5R5L | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13589A | x-ray diffraction | A | S2S | — |
| 5R5M | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N14123A | x-ray diffraction | A | S2V | — |
| 5R5N | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13595a | x-ray diffraction | A | JHP | 2 (best 0.68) |
| 5R5N | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13595A | x-ray diffraction | A | JHP | — |
| 5R5O | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14027a | x-ray diffraction | A | V3J | 2 (best 0.68) |
| 5R5O | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N14027A | x-ray diffraction | A | V3J | — |
| 5R5P | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13910a | x-ray diffraction | A | S2Y | 2 (best 0.68) |
| 5R5P | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13910A | x-ray diffraction | A | S2Y | — |
| 5R5Q | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13920A | x-ray diffraction | A | 7MU | — |
| 5R5R | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14078a | x-ray diffraction | A | S34 | 2 (best 0.69) |
| 5R5R | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N14078A | x-ray diffraction | A | S34 | — |
| 5R5S | Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with N13775A | x-ray diffraction | A | NU4 | — |
3 records more on the page itself.
Ligands
- 6SU · methyl 3-(methylsulfonylamino)benzoate · in 2 records
- GQJ · methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate · in 2 records
- GQP · 1-[(4-fluorophenyl)methyl]benzimidazole · in 2 records
- GV1 · ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine · in 2 records
- JHP · 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide · in 2 records
- MH5 · 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid · in 2 records
- N08 · ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide · in 2 records
- PO4 · Phosphate ion · in 2 records
- RU4 · 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate · in 2 records
- RY4 · N-[4-(aminomethyl)phenyl]methanesulfonamide · in 2 records
- RYG · ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide · in 2 records
- RYM · 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile · in 2 records
- RYP · ~{N}-methyl-1-pyridin-4-yl-methanamine · in 2 records
- S07 · 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone · in 2 records
- S0P · ~{N}-(4-cyanophenyl)ethanamide · in 2 records
- S0S · (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol · in 2 records
- S0V · morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone · in 2 records
- S1G · 4-[(phenylmethyl)amino]benzoic acid · in 2 records
- S1J · 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid · in 2 records
- S1M · methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate · in 2 records
- S1V · 1-ethanoylpiperidine-4-carbonitrile · in 2 records
- S2J · methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate · in 2 records
- S2S · 4-(methylsulfonylamino)benzamide · in 2 records
- S2Y · ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline · in 2 records
- S34 · 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide · in 2 records
- UPG · Uridine-5'-diphosphate-glucose · in 2 records
- V3J · (4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl) (morpholin-4-yl)methanone · in 2 records
- 7MU · 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide · in 1 record
- JOV · 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide · in 1 record
- NU4 · 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide · in 1 record
Experiment against prediction
- 5R5B chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.89 Å
- 5R5B chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.89 Å
- 5R5D chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.90 Å
- 5R5D chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.90 Å
- 5R5C chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.90 Å
- 5R5C chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.90 Å
- 5R5P chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.91 Å
- 5R5P chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.91 Å
- 5R5E chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.90 Å
- 5R5E chain A against the predicted model Q9BRQ3: TM-score 0.99, RMSD 0.90 Å
Elsewhere
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