UniProt O75417
DNA polymerase theta (O75417)
DNA polymerase theta (UniProt O75417), EC 2.7.7.49, 2.7.7.7: 22 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 245 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- O75417
- Protein
- DNA polymerase theta
- EC
- 2.7.7.49, 2.7.7.7, 3.6.4.12
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 245 · 14 records with a druggable one
Structures
23 records of O75417 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4X0P | Ternary complex of human DNA polymerase theta C-terminal domain binding ddatp opposite a… | x-ray diffraction | A, B, C, D | — | — |
| 4X0Q | Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite dCMP | x-ray diffraction | A, B | MG, DG3 | 20 (best 0.82) |
| 4X0Q | Ternary complex of human DNA polymerase theta C-terminal domain binding ddgtp opposite dcmp | x-ray diffraction | A, B | — | — |
| 5A9F | Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP | x-ray diffraction | A | — | — |
| 5A9F | Crystal structure of the helicase domain of human DNA polymerase theta in complex with ADP | x-ray diffraction | A | — | — |
| 5A9J | Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form | x-ray diffraction | A, B, C, D | — | — |
| 5A9J | Crystal structure of the helicase domain of human DNA polymerase theta, apo-form | x-ray diffraction | A, B, C, D | — | — |
| 5AGA | Crystal structure of the helicase domain of human DNA polymerase theta in complex with amppnp | x-ray diffraction | A | — | — |
| 6XBU | polymerase domain of polymerase-theta | x-ray diffraction | A | DG3 | 10 (best 0.62) |
| 6XBU | Polymerase domain of polymerase-theta | x-ray diffraction | A | DG3 | — |
| 7ZX0 | Crystal structure of Pol theta polymerase domain in complex with compound 5 | x-ray diffraction | AAA, BBB, CCC, DDD, EEE, FFF | MG, DG3, K7X | 20 (best 0.79) |
| 7ZX1 | Crystal structure of Pol theta polymerase domain in complex with compound 22 | x-ray diffraction | AAA, BBB, CCC, DDD, EEE, FFF | MG, DG3, K8I | 20 (best 0.79) |
| 8E24 | Human DNA polymerase theta in complex with allosteric inhibitor | x-ray diffraction | A, D | MG, DG3, UA6 | 19 (best 0.77) |
| 8GD7 | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and… | x-ray diffraction | A | MG, DG3, Z5X | 9 (best 0.79) |
| 8W0A | Human DNA polymerase theta helicase domain in complex with ssDNA, dimer form | electron microscopy | C, A | — | 19 (best 0.78) |
| 9ASJ | Human DNA polymerase theta helicase domain in complex with AMP-PNP, dimer form | electron microscopy | A, B | ANP | 14 (best 0.83) |
| 9ASK | Human DNA polymerase theta helicase domain dimer, apo-form | electron microscopy | A, B | — | 18 (best 0.83) |
| 9BH7 | Human DNA polymerase theta helicase domain dimer in the apo form | electron microscopy | A, B | — | 16 (best 0.83) |
| 9BH8 | Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology searching… | electron microscopy | A, B | — | 20 (best 0.78) |
| 9BHA | Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology annealed… | electron microscopy | A, B | — | 20 (best 0.80) |
| 9BPA | Human DNA polymerase theta helicase domain in complex with inhibitor AB25583, tetramer form | electron microscopy | A, C, E, G | WCN | 20 (best 0.84) |
| 9C5Q | Human DNA polymerase theta helicase domain in microhomology annealed state 2, dimer form | electron microscopy | C, A | — | 20 (best 0.79) |
| O75417 | AlphaFold monomer V2.0 prediction for DNA polymerase theta (O75417) | predicted | A | — | — |
Ligands
- DG3 · 2'-3'-dideoxyguanosine-5'-triphosphate · in 7 records
- MG · Magnesium ion · in 5 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 1 record
- K7X · 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide · in 1 record
- K8I · (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide · in 1 record
- UA6 · 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide · in 1 record
- WCN · (4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide · in 1 record
- Z5X · 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate · in 1 record
Experiment against prediction
- 5A9F chain A against the predicted model O75417: TM-score 0.98, RMSD 1.26 Å
- 5A9F chain A against the predicted model O75417: TM-score 0.98, RMSD 1.26 Å
- 5AGA chain A against the predicted model O75417: TM-score 0.98, RMSD 1.32 Å
- 9ASJ chain A against the predicted model O75417: TM-score 0.98, RMSD 1.42 Å
- 9ASJ chain B against the predicted model O75417: TM-score 0.98, RMSD 1.42 Å
- 9BH7 chain B against the predicted model O75417: TM-score 0.98, RMSD 1.46 Å
- 9BH7 chain A against the predicted model O75417: TM-score 0.98, RMSD 1.48 Å
- 9BPA chain A against the predicted model O75417: TM-score 0.98, RMSD 1.45 Å
- 9BPA chain E against the predicted model O75417: TM-score 0.98, RMSD 1.45 Å
- 9BPA chain C against the predicted model O75417: TM-score 0.98, RMSD 1.45 Å
Elsewhere
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