UniProt P9WKE1
Thymidylate kinase (P9WKE1)
Thymidylate kinase (UniProt P9WKE1), EC 2.7.4.9: 10 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 10 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P9WKE1
- Protein
- Thymidylate kinase
- EC
- 2.7.4.9
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 10 · 3 records with a druggable one
Structures
11 records of P9WKE1 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5NQ5 | Mtb TMK crystal structure in complex with compound 1 | x-ray diffraction | A | 952 | — |
| 5NQ5 | Mtb tmk crystal structure in complex with compound 1 | x-ray diffraction | A | 952 | — |
| 5NR7 | Mtb TMK crystal structure in complex with compound 43 | x-ray diffraction | A, B | YUI, CL | — |
| 5NR7 | Mtb tmk crystal structure in complex with compound 43 | x-ray diffraction | A, B | YUI, CL | — |
| 5NRN | Mtb TMK crystal structure in complex with compound 3 | x-ray diffraction | A, B | 95W, CL | 4 (best 0.76) |
| 5NRN | Mtb tmk crystal structure in complex with compound 3 | x-ray diffraction | A, B | 95W, CL | — |
| 5NRQ | Mtb TMK crystal structure in complex with compound 33 | x-ray diffraction | A, B | ZUI, CL | 3 (best 0.58) |
| 5NRQ | Mtb tmk crystal structure in complex with compound 33 | x-ray diffraction | A, B | ZUI, CL | — |
| 6YT1 | Mtb TMK crystal structure in complex with compound 26 | x-ray diffraction | A, B | PK5 | 3 (best 0.65) |
| 6YT1 | Mtb tmk crystal structure in complex with compound 26 | x-ray diffraction | A, B | PK5 | — |
| P9WKE1 | AlphaFold monomer V2.0 prediction for thymidylate kinase (P9WKE1) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 6 records
- 952 · 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl) methyl]piperidin-3-yl]pyrimidine-2,4-dione · in 2 records
- 95W · 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione · in 2 records
- PK5 · 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene) pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5, 6,7,8,8~{A}-octahydroimidazo[1,2-a]pyridine-3-carboxamide · in 2 records
- YUI · 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione · in 2 records
- ZUI · 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione · in 2 records
Experiment against prediction
- 5NR7 chain B against the predicted model P9WKE1: TM-score 1.00, RMSD 0.36 Å
- 5NR7 chain B against the predicted model P9WKE1: TM-score 1.00, RMSD 0.36 Å
- 5NRQ chain B against the predicted model P9WKE1: TM-score 0.99, RMSD 0.41 Å
- 5NRQ chain B against the predicted model P9WKE1: TM-score 0.99, RMSD 0.41 Å
- 6YT1 chain A against the predicted model P9WKE1: TM-score 0.99, RMSD 0.58 Å
- 6YT1 chain A against the predicted model P9WKE1: TM-score 0.99, RMSD 0.58 Å
- 5NR7 chain A against the predicted model P9WKE1: TM-score 0.98, RMSD 0.69 Å
- 5NR7 chain A against the predicted model P9WKE1: TM-score 0.98, RMSD 0.69 Å
- 5NRQ chain A against the predicted model P9WKE1: TM-score 0.98, RMSD 0.83 Å
- 5NRQ chain A against the predicted model P9WKE1: TM-score 0.98, RMSD 0.83 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.