UniProt Q9NUW8
Tyrosyl-DNA phosphodiesterase 1 (Q9NUW8)
Tyrosyl-DNA phosphodiesterase 1 (UniProt Q9NUW8), EC 3.1.4.-: 80 experimental structures and 1 predicted model on GenesisL1, 36 ligands bound, 374 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q9NUW8
- Protein
- Tyrosyl-DNA phosphodiesterase 1
- EC
- 3.1.4.-
- Experimental structures
- 80
- Predicted models
- 1
- Ligands
- 36
- Pockets
- 374 · 53 records with a druggable one
Structures
81 records of Q9NUW8 in the MolNFT archive: 80 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1JY1 | Crystal structure of human tyrosyl-DNA phosphodiesterase (TDP1) | x-ray diffraction | A | — | 4 (best 0.50) |
| 1JY1 | Crystal structure of human tyrosyl-DNA phosphodiesterase (TDP1) | x-ray diffraction | A | — | 4 (best 0.50) |
| 1QZQ | human Tyrosyl DNA phosphodiesterase | x-ray diffraction | A, B | — | 7 (best 0.59) |
| 1QZQ | Human tyrosyl DNA phosphodiesterase | x-ray diffraction | A, B | — | 7 (best 0.59) |
| 1RFF | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide… | x-ray diffraction | A, B | VO4, SPM | 4 (best 0.74) |
| 1RFF | Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, octapeptide… | x-ray diffraction | A, B | VO4, SPM | 4 (best 0.74) |
| 1RFI | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide… | x-ray diffraction | A, B | VO4, SPM | 6 (best 0.74) |
| 1RFI | Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, pentapeptide… | x-ray diffraction | A, B | VO4, SPM | 6 (best 0.74) |
| 1RG1 | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and… | x-ray diffraction | A, B | VO4, SPM, OTS | 5 (best 0.70) |
| 1RG1 | Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, octopamine, and… | x-ray diffraction | A, B | VO4, SPM, OTS | 5 (best 0.70) |
| 1RG2 | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and… | x-ray diffraction | A, B | VO4, SPM, OTS, OTR | 6 (best 0.75) |
| 1RG2 | Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, octopamine, and… | x-ray diffraction | A, B | VO4, SPM, OTS, OTR | 6 (best 0.75) |
| 1RGT | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and… | x-ray diffraction | A, B | VO4, SPM, OTS, OTR | 7 (best 0.70) |
| 1RGT | Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, octopamine, and… | x-ray diffraction | A, B | VO4, SPM, OTS, OTR | 7 (best 0.70) |
| 1RGU | The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine… | x-ray diffraction | A, B | VO4, SPM, OTS | 6 (best 0.74) |
| 1RGU | The crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, octopamine… | x-ray diffraction | A, B | VO4, SPM, OTS | 6 (best 0.74) |
| 1RH0 | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and… | x-ray diffraction | A, B | VO4, SPM, OTS | 6 (best 0.73) |
| 1RH0 | Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate, octopamine and… | x-ray diffraction | A, B | VO4, SPM, OTS | 6 (best 0.73) |
| 5NW9 | Crystal structure of the complex of Tdp1 with duplex DNA | x-ray diffraction | A, B | — | 9 (best 0.73) |
| 5NW9 | Crystal structure of the complex of TDP1 with duplex DNA | x-ray diffraction | A, B | — | — |
| 5NWA | Crystal structure of the complex of Tdp1 with duplex DNA | x-ray diffraction | A, B | — | 9 (best 0.77) |
| 5NWA | Crystal structure of the complex of TDP1 with duplex DNA | x-ray diffraction | A, B | — | — |
| 6DHU | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail… | x-ray diffraction | A, B | GHM | 6 (best 0.79) |
| 6DHU | Crystal structure of TDP1 catalytic domain in complex with zenobia fragment ZT0911 from cocktail… | x-ray diffraction | A, B | GHM | — |
| 6DIE | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment… | x-ray diffraction | A, B | GHM | 4 (best 0.79) |
| 6DIE | Crystal structure of TDP1 catalytic domain in complex with zenobia fragment… | x-ray diffraction | A, B | GHM | — |
| 6DIH | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941 | x-ray diffraction | A, B | GJS | 8 (best 0.73) |
| 6DIH | Crystal structure of TDP1 catalytic domain in complex with sigma aldrich compound PH004941 | x-ray diffraction | A, B | GJS | — |
| 6DIM | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail… | x-ray diffraction | A, B | GJP | 7 (best 0.79) |
| 6DIM | Crystal structure of TDP1 catalytic domain in complex with zenobia fragment ZT1982 from cocktail… | x-ray diffraction | A, B | GJP | — |
| 6DJD | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) | x-ray diffraction | A, B | GJP | 9 (best 0.73) |
| 6DJD | Crystal structure of TDP1 catalytic domain in complex with zenobia fragment ZT1982 (single soak) | x-ray diffraction | A, B | GJP | — |
| 6DJE | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | x-ray diffraction | A, B | GNY | 5 (best 0.78) |
| 6DJE | Crystal structure of TDP1 catalytic domain in complex with sigma aldrich compound CDS010292 | x-ray diffraction | A, B | GNY | — |
| 6DJF | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | x-ray diffraction | A, B | GNV | 6 (best 0.80) |
| 6DJF | Crystal structure of TDP1 catalytic domain in complex with compound XZ502 | x-ray diffraction | A, B | GNV | — |
| 6DJG | Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 | x-ray diffraction | A, B | GNJ | 7 (best 0.77) |
| 6DJG | Crystal structure of TDP1 catalytic domain in complex with compound XZ503 | x-ray diffraction | A, B | GNJ | — |
| 6DJH | Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 | x-ray diffraction | A, B | GNM | 7 (best 0.78) |
| 6DJH | Crystal structure of TDP1 catalytic domain in complex with compound XZ515 | x-ray diffraction | A, B | GNM | — |
| 6DJI | Crystal structure of Tdp1 catalytic domain in complex with compound XZ522 | x-ray diffraction | A, B | GOG | 7 (best 0.79) |
| 6DJI | Crystal structure of TDP1 catalytic domain in complex with compound XZ522 | x-ray diffraction | A, B | GOG | — |
| 6DJJ | Crystal structure of Tdp1 catalytic domain in complex with compound XZ532 | x-ray diffraction | A, B | GM7 | 7 (best 0.73) |
| 6DJJ | Crystal structure of TDP1 catalytic domain in complex with compound XZ532 | x-ray diffraction | A, B | GM7 | — |
| 6MJ5 | Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 | x-ray diffraction | A, B | JTA | 7 (best 0.78) |
| 6MJ5 | Crystal structure of TDP1 catalytic domain in complex with compound XZ519 | x-ray diffraction | A, B | JTA | — |
| 6MYZ | Crystal structure of Tdp1 catalytic domain in complex with compound XZ520 | x-ray diffraction | A, B | K7D | 9 (best 0.78) |
| 6MYZ | Crystal structure of TDP1 catalytic domain in complex with compound XZ520 | x-ray diffraction | A, B | K7D | — |
| 6MZ0 | Crystal structure of Tdp1 catalytic domain in complex with compound XZ530 | x-ray diffraction | A, B | K7A | 7 (best 0.78) |
| 6MZ0 | Crystal structure of TDP1 catalytic domain in complex with compound XZ530 | x-ray diffraction | A, B | K7A | — |
| 6N0D | Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 | x-ray diffraction | A, B | K8J | 6 (best 0.80) |
| 6N0D | Crystal structure of TDP1 catalytic domain in complex with compound XZ575 | x-ray diffraction | A, B | K8J | — |
| 6N0N | Crystal structure of Tdp1 catalytic domain in complex with compound XZ574 | x-ray diffraction | A, B | KAY | 6 (best 0.78) |
| 6N0N | Crystal structure of TDP1 catalytic domain in complex with compound XZ574 | x-ray diffraction | A, B | KAY | — |
| 6N0O | Crystal structure of Tdp1 catalytic domain in complex with compound XZ523 | x-ray diffraction | A, B | K8G | 6 (best 0.78) |
| 6N0O | Crystal structure of TDP1 catalytic domain in complex with compound XZ523 | x-ray diffraction | A, B | K8G | — |
| 6N0R | Crystal structure of Tdp1 catalytic domain in complex with compound XZ572 | x-ray diffraction | A, B | K8D | 6 (best 0.79) |
| 6N0R | Crystal structure of TDP1 catalytic domain in complex with compound XZ572 | x-ray diffraction | A, B | K8D | — |
| 6N17 | Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 | x-ray diffraction | A, B | K8Y | 6 (best 0.79) |
| 6N17 | Crystal structure of TDP1 catalytic domain in complex with compound XZ577 | x-ray diffraction | A, B | K8Y | — |
21 records more on the page itself.
Ligands
- SPM · Spermine · in 14 records
- VO4 · Vanadate ion · in 14 records
- OTS · 4-(2S-amino-1-hydroxyethyl)phenol · in 10 records
- GHM · benzene-1,2,4-tricarboxylic acid · in 4 records
- GJP · 4-hydroxyquinoline-3-carboxylic acid · in 4 records
- OTR · 4-(2R-amino-1-hydroxyethyl)phenol · in 4 records
- GJS · 4-hydroxybenzene-1,2-dicarboxylic acid · in 2 records
- GM7 · 4-aminobenzene-1,2-dicarboxylic acid · in 2 records
- GNJ · 4-hydroxy-8-sulfoquinoline-3-carboxylic acid · in 2 records
- GNM · 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid · in 2 records
- GNV · 4-hydroxyquinoline-3,8-dicarboxylic acid · in 2 records
- GNY · 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid · in 2 records
- GOG · 3-hydroxybenzene-1,2-dicarboxylic acid · in 2 records
- JTA · 4-hydroxy-8-nitroquinoline-3-carboxylic acid · in 2 records
- K7A · 5-hydroxypyrazine-2,3-dicarboxylic acid · in 2 records
- K7D · 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid · in 2 records
- K8D · 4-(methylamino)benzene-1,2-dicarboxylic acid · in 2 records
- K8G · 4-nitrobenzene-1,2-dicarboxylic acid · in 2 records
- K8J · 4-fluorobenzene-1,2-dicarboxylic acid · in 2 records
- K8V · 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid · in 2 records
- K8Y · 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid · in 2 records
- KAY · 4-methylbenzene-1,2-dicarboxylic acid · in 2 records
- SZV · 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid · in 2 records
- TG7 · 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1, 2-dicarboxylic acid · in 2 records
- TGM · 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid · in 2 records
- TGV · 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1, 2-dicarboxylic acid · in 2 records
- A1AIM · (8M)-8-{4-(benzylcarbamoyl)-2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid · in 1 record
- N7U · (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid · in 1 record
- N8I · [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid · in 1 record
- OYH · 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid · in 1 record
Experiment against prediction
- 1RFF chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.50 Å
- 1RFF chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.50 Å
- 1RGT chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.51 Å
- 1RGT chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.51 Å
- 1RFI chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.51 Å
- 1RFI chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.51 Å
- 1RH0 chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.52 Å
- 1RH0 chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.52 Å
- 1RGU chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.52 Å
- 1RGU chain A against the predicted model Q9NUW8: TM-score 1.00, RMSD 0.52 Å
Elsewhere
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