UniProt O67099
Thymidylate kinase (O67099)
Thymidylate kinase (UniProt O67099), EC 2.7.4.9: 22 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 27 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- O67099
- Protein
- Thymidylate kinase
- EC
- 2.7.4.9
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 27 · 7 records with a druggable one
Structures
23 records of O67099 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2PBR | Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 2PBR | Crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 4S2E | Phosphate ion bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 4S2E | Phosphate ion bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 4S35 | AMPPCP and TMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 4S35 | Amppcp and tmp bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 5H56 | ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | ADP, TYD, MG, CA | 4 (best 0.64) |
| 5H56 | ADP and dtdp bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 5H5B | Citrate ion bound crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | B, A | — | — |
| 5H5B | Citrate ion bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | B, A | — | — |
| 5H5K | ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | MG, ATP, C5P | 4 (best 0.59) |
| 5H5K | ATP and cmp bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | — | — |
| 5XAI | dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | B, A | PO4, TMP | 4 (best 0.58) |
| 5XAI | Dtmp bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | B, A | PO4, TMP | — |
| 5XB2 | ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | B, A | ADP, TMP, MG, F | 3 (best 0.63) |
| 5XB2 | ADP-mg-F-dtmp bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | B, A | ADP, TMP, MG, F | — |
| 5XB3 | ADP-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | ADP, TMP | — |
| 5XB3 | ADP-dtmp bound crystal structure of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | ADP, TMP | — |
| 5XB5 | Crystal structure of R90A mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | PO4 | 5 (best 0.62) |
| 5XB5 | Crystal structure of R90A mutant of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | PO4 | — |
| 5XBH | Crystal structure of R145E mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | x-ray diffraction | A, B | — | 5 (best 0.61) |
| 5XBH | Crystal structure of R145E mutant of thymidylate kinase (AQ_969) from aquifex aeolicus VF5 | x-ray diffraction | A, B | — | — |
| O67099 | AlphaFold monomer V2.0 prediction for thymidylate kinase (O67099) | predicted | A | — | 2 (best 0.52) |
Ligands
- TMP · Thymidine-5'-phosphate · in 6 records
- ADP · Adenosine-5'-diphosphate · in 5 records
- MG · Magnesium ion · in 4 records
- PO4 · Phosphate ion · in 4 records
- F · Fluoride ion · in 2 records
- ATP · Adenosine-5'-triphosphate · in 1 record
- C5P · Cytidine-5'-monophosphate · in 1 record
- CA · Calcium ion · in 1 record
- TYD · Thymidine-5'-diphosphate · in 1 record
Experiment against prediction
- 5H5B chain A against the predicted model O67099: TM-score 0.97, RMSD 0.97 Å
- 5H5B chain A against the predicted model O67099: TM-score 0.97, RMSD 0.97 Å
- 5H5K chain A against the predicted model O67099: TM-score 0.97, RMSD 0.99 Å
- 5H5K chain A against the predicted model O67099: TM-score 0.97, RMSD 0.99 Å
- 4S2E chain A against the predicted model O67099: TM-score 0.97, RMSD 0.98 Å
- 4S2E chain A against the predicted model O67099: TM-score 0.97, RMSD 0.98 Å
- 4S2E chain B against the predicted model O67099: TM-score 0.97, RMSD 0.99 Å
- 4S2E chain B against the predicted model O67099: TM-score 0.97, RMSD 0.99 Å
- 5H5B chain B against the predicted model O67099: TM-score 0.97, RMSD 1.00 Å
- 5H5B chain B against the predicted model O67099: TM-score 0.97, RMSD 1.00 Å
Elsewhere
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