UniProt Q6GJI9
Thymidylate kinase (Q6GJI9)
Thymidylate kinase (UniProt Q6GJI9), EC 2.7.4.9: 14 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 30 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q6GJI9
- Protein
- Thymidylate kinase
- EC
- 2.7.4.9
- Experimental structures
- 14
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 30 · 14 records with a druggable one
Structures
15 records of Q6GJI9 in the MolNFT archive: 14 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4HLC | Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK)… | x-ray diffraction | A, B | T05 | 3 (best 0.53) |
| 4HLC | Sulfonylpiperidines as novel, antibacterial inhibitors of gram- positive thymidylate kinase (tmk)… | x-ray diffraction | A, B | T05 | 3 (best 0.53) |
| 4HLD | Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK)… | x-ray diffraction | A, B | 16T | 2 (best 0.52) |
| 4HLD | Sulfonylpiperidines as novel, antibacterial inhibitors of gram- positive thymidylate kinase (tmk)… | x-ray diffraction | A, B | 16T | 2 (best 0.52) |
| 4QG7 | S.aureus TMK in complex with a potent inhibitor compound 18… | x-ray diffraction | A, B | 32K | 2 (best 0.57) |
| 4QG7 | S.AUREUS tmk in complex with a potent inhibitor compound 18, 2-(3… | x-ray diffraction | A, B | 32K | 2 (best 0.57) |
| 4QGA | S.aureus TMK in complex with potent inhibitor compound 19… | x-ray diffraction | A, B | 31Z | 2 (best 0.56) |
| 4QGA | S.AUREUS tmk in complex with potent inhibitor compound 19, 2-(3… | x-ray diffraction | A, B | 31Z | 2 (best 0.56) |
| 4QGF | S.aureus TMK in complex with the potent inhibitor compound 38… | x-ray diffraction | A, B | 32B | 2 (best 0.55) |
| 4QGF | S.AUREUS tmk in complex with the potent inhibitor compound 38, 2-(3… | x-ray diffraction | A, B | 32B | 2 (best 0.55) |
| 4QGG | TMK in complex with compound 46, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2… | x-ray diffraction | A, B | 32C | 2 (best 0.53) |
| 4QGG | Tmk in complex with compound 46, 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)… | x-ray diffraction | A, B | 32C | 2 (best 0.53) |
| 4QGH | S.aureus TMK in complex with potent inhibitor compound 47 | x-ray diffraction | A, B | 32E | 2 (best 0.76) |
| 4QGH | S.AUREUS tmk in complex with potent inhibitor compound 47 | x-ray diffraction | A, B | 32E | 2 (best 0.76) |
| Q6GJI9 | AlphaFold monomer V2.0 prediction for thymidylate kinase (Q6GJI9) | predicted | A | — | — |
Ligands
- 16T · 1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione · in 2 records
- 31Z · 2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid · in 2 records
- 32B · 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid · in 2 records
- 32C · 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid · in 2 records
- 32E · 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid · in 2 records
- 32K · 2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid · in 2 records
- T05 · 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid · in 2 records
Experiment against prediction
- 4QGG chain B against the predicted model Q6GJI9: TM-score 0.96, RMSD 1.32 Å
- 4QGG chain B against the predicted model Q6GJI9: TM-score 0.96, RMSD 1.32 Å
- 4QGF chain B against the predicted model Q6GJI9: TM-score 0.96, RMSD 1.35 Å
- 4QGF chain B against the predicted model Q6GJI9: TM-score 0.96, RMSD 1.35 Å
- 4QG7 chain B against the predicted model Q6GJI9: TM-score 0.95, RMSD 1.39 Å
- 4QG7 chain B against the predicted model Q6GJI9: TM-score 0.95, RMSD 1.39 Å
- 4QGA chain B against the predicted model Q6GJI9: TM-score 0.95, RMSD 1.39 Å
- 4QGA chain B against the predicted model Q6GJI9: TM-score 0.95, RMSD 1.39 Å
- 4HLD chain B against the predicted model Q6GJI9: TM-score 0.95, RMSD 1.53 Å
- 4HLD chain B against the predicted model Q6GJI9: TM-score 0.95, RMSD 1.53 Å
Elsewhere
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