UniProt Q5SHX3
Thymidylate kinase (Q5SHX3)
Thymidylate kinase (UniProt Q5SHX3), EC 2.7.4.9: 27 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 22 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q5SHX3
- Protein
- Thymidylate kinase
- EC
- 2.7.4.9
- Experimental structures
- 27
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 22 · 6 records with a druggable one
Structures
28 records of Q5SHX3 in the MolNFT archive: 27 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5X7J | Crystal structure of thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | CL, CA | 2 (best 0.52) |
| 5X7J | Crystal structure of thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | CL, CA | — |
| 5X86 | Crystal structure of tmp bound thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | B, A | CL, MG, TMP | — |
| 5X8A | Crystal structure of ATP bound thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | MG, CL, ATP | 4 (best 0.69) |
| 5X8A | Crystal structure of ATP bound thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | MG, CL, ATP | — |
| 5X8B | Crystal structure of ATP-TMP and ADP bound thymidylate kinase from Thermus thermophilus HB8 | x-ray diffraction | A, B | ATP, TMP, MG, ADP | 4 (best 0.53) |
| 5X8B | Crystal structure of ATP-tmp and ADP bound thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | ATP, TMP, MG, ADP | — |
| 5X8C | AMPPCP and TMP bound crystal structure of thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | TMP, MG, CL, ACP | 3 (best 0.52) |
| 5X8C | Amppcp and tmp bound crystal structure of thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | TMP, MG, CL, ACP | — |
| 5X8D | D90L mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | B, A | MG | — |
| 5X8J | K16M mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | A, B | — | — |
| 5X8K | V158T mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | A, B | NA, CL | — |
| 5X8V | Y92H mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | B, A | NA, CL | — |
| 5X8V | Y92H mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | B, A | NA, CL | — |
| 5X98 | Y162F mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | B, A | MG | — |
| 5X98 | Y162F mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | B, A | MG | — |
| 5X99 | T18V mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | A, B | MG | 3 (best 0.51) |
| 5X99 | T18V mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | A, B | MG | — |
| 5XAK | Crystal structure (form II) of thymidylate kinase from Thermus thermophilus HB8 | x-ray diffraction | A, B | CL, CS | 3 (best 0.40) |
| 5XAK | Crystal structure (form II) of thymidylate kinase from thermus thermophilus HB8 | x-ray diffraction | A, B | CL, CS | — |
| 5XAL | Y99F mutant of thermus thermophilus HB8 thymidylate kinase | x-ray diffraction | A, B | MG | — |
| 5XT8 | Magnesium bound apo structure of thymidylate kinase (form I) from Thermus thermophilus HB8 | x-ray diffraction | A, B | MG, CL | 3 (best 0.60) |
| 5XT8 | Magnesium bound apo structure of thymidylate kinase (form I) from thermus thermophilus HB8 | x-ray diffraction | A, B | MG, CL | — |
| 5ZAX | Crystal structure of thymidylate kinase in complex with ADP, TDP and TMP from thermus thermophilus… | x-ray diffraction | A, B | ADP, MG, CL, TYD, TMP | — |
| 5ZAX | Crystal structure of thymidylate kinase in complex with ADP, tdp and tmp from thermus thermophilus… | x-ray diffraction | A, B | ADP, MG, CL, TYD, TMP | — |
| 5ZB0 | Crystal structure of thymidylate kinase in complex with ADP and tdp from thermus thermophilus HB8 | x-ray diffraction | A, B | TYD, ADP, MG, CL | — |
| 5ZB4 | Crystal structure of thymidylate kinase in complex with ADP and tmp from thermus thermophilus HB8 | x-ray diffraction | A, B | ADP, CA, CL, TMP | — |
| Q5SHX3 | AlphaFold monomer V2.0 prediction for thymidylate kinase (Q5SHX3) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 18 records
- MG · Magnesium ion · in 18 records
- TMP · Thymidine-5'-phosphate · in 8 records
- ADP · Adenosine-5'-diphosphate · in 6 records
- ATP · Adenosine-5'-triphosphate · in 4 records
- CA · Calcium ion · in 3 records
- NA · Sodium ion · in 3 records
- TYD · Thymidine-5'-diphosphate · in 3 records
- ACP · Phosphomethylphosphonic acid adenylate ester · in 2 records
- CS · Cesium ion · in 2 records
Experiment against prediction
- 5X8D chain B against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.55 Å
- 5ZB0 chain B against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.55 Å
- 5X8C chain B against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.59 Å
- 5X8C chain B against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.59 Å
- 5X99 chain A against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.61 Å
- 5X99 chain A against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.61 Å
- 5ZB4 chain B against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.62 Å
- 5X7J chain A against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.64 Å
- 5X7J chain A against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.64 Å
- 5X8J chain B against the predicted model Q5SHX3: TM-score 0.99, RMSD 0.80 Å
Elsewhere
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