UniProt Q9NV35
Probable 8-oxo-dGTP diphosphatase NUDT15 (Q9NV35)
Probable 8-oxo-dGTP diphosphatase NUDT15 (UniProt Q9NV35), EC 3.6.1.55: 17 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 21 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9NV35
- Protein
- Probable 8-oxo-dGTP diphosphatase NUDT15
- EC
- 3.6.1.55
- Experimental structures
- 17
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 21 · 3 records with a druggable one
Structures
18 records of Q9NV35 in the MolNFT archive: 17 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5BON | Crystal structure of human Nudt15 (MTH2) | x-ray diffraction | A, B, C, D, E, F, G, H | MG | 17 (best 0.83) |
| 5BON | Crystal structure of human NUDT15 (MTH2) | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 5LPG | Structure of NUDT15 in complex with 6-thio-GMP | x-ray diffraction | A, B | MG, 71V | 3 (best 0.65) |
| 5LPG | Structure of NUDT15 in complex with 6-thio-gmp | x-ray diffraction | A, B | MG, 71V | — |
| 6T5J | Structure of NUDT15 in complex with inhibitor TH1760 | x-ray diffraction | A, B | MKB, MG, CL | — |
| 7AOM | Structure of NUDT15 in complex with ganciclovir triphosphate | x-ray diffraction | A, B | RQ2, MG | — |
| 7AOP | Structure of NUDT15 in complex with inhibitor TH8321 | x-ray diffraction | A | RTW, MG | — |
| 7AOP | Structure of NUDT15 in complex with inhibitor TH8321 | x-ray diffraction | A | RTW, MG | — |
| 7B63 | Structure of NUDT15 in complex with TH7755 | x-ray diffraction | A, B | SYW, MG | — |
| 7B64 | Structure of NUDT15 V18I Mutant in complex with TH7755 | x-ray diffraction | A | SYW | — |
| 7B64 | Structure of NUDT15 V18I mutant in complex with TH7755 | x-ray diffraction | A | SYW | — |
| 7B65 | Structure of NUDT15 R139C mutant in complex with TH7755 | x-ray diffraction | A, B | SYW | — |
| 7B66 | Structure of NUDT15 R139H Mutant in complex with TH7755 | x-ray diffraction | A, B, C, D | SYW | — |
| 7B66 | Structure of NUDT15 R139H mutant in complex with TH7755 | x-ray diffraction | A, B, C, D | SYW | — |
| 7B67 | Structure of NUDT15 V18_V19INSGV mutant in complex with TH7755 | x-ray diffraction | A, B | SYW, PO4, MG | — |
| 7B7V | Structure of NUDT15 in complex with acyclovir monophosphate | x-ray diffraction | A, B | 4DG, MG, CL | — |
| 7NR6 | Structure of NUDT15 in complex with NSC56456 | x-ray diffraction | A, B | MG, UO8 | — |
| Q9NV35 | AlphaFold monomer V2.0 prediction for nucleotide triphosphate diphosphatase NUDT15 (Q9NV35) | predicted | A | — | 1 (best 0.63) |
Ligands
- MG · Magnesium ion · in 11 records
- SYW · (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl) piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one · in 7 records
- 71V · [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate · in 2 records
- CL · Chloride ion · in 2 records
- RTW · 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione · in 2 records
- 4DG · 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl) methoxy]ethyl dihydrogen phosphate · in 1 record
- MKB · 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one · in 1 record
- PO4 · Phosphate ion · in 1 record
- RQ2 · Ganciclovir triphosphate · in 1 record
- UO8 · 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione · in 1 record
Experiment against prediction
- 5BON chain G against the predicted model Q9NV35: TM-score 0.99, RMSD 0.46 Å
- 5BON chain D against the predicted model Q9NV35: TM-score 0.99, RMSD 0.48 Å
- 5BON chain D against the predicted model Q9NV35: TM-score 0.99, RMSD 0.48 Å
- 5BON chain E against the predicted model Q9NV35: TM-score 0.99, RMSD 0.50 Å
- 5BON chain B against the predicted model Q9NV35: TM-score 0.99, RMSD 0.51 Å
- 5BON chain B against the predicted model Q9NV35: TM-score 0.99, RMSD 0.51 Å
- 7AOM chain A against the predicted model Q9NV35: TM-score 0.99, RMSD 0.59 Å
- 5LPG chain A against the predicted model Q9NV35: TM-score 0.99, RMSD 0.58 Å
- 5LPG chain A against the predicted model Q9NV35: TM-score 0.99, RMSD 0.58 Å
- 7B7V chain B against the predicted model Q9NV35: TM-score 0.99, RMSD 0.61 Å
Elsewhere
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