UniProt P08922
Proto-oncogene tyrosine-protein kinase ROS (P08922)
Proto-oncogene tyrosine-protein kinase ROS (UniProt P08922), EC 2.7.10.1: 8 experimental structures and 1 predicted model on GenesisL1, 3 ligands bound, 29 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P08922
- Protein
- Proto-oncogene tyrosine-protein kinase ROS
- EC
- 2.7.10.1
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 3
- Pockets
- 29 · 3 records with a druggable one
Structures
9 records of P08922 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3ZBF | Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | x-ray diffraction | A | — | — |
| 3ZBF | Structure of human ROS1 kinase domain in complex with crizotinib | x-ray diffraction | A | — | — |
| 4UXL | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | x-ray diffraction | A | — | — |
| 4UXL | Structure of human ROS1 kinase domain in complex with pf-06463922 | x-ray diffraction | A | — | — |
| 7Z5W | ROS1 with AstraZeneca ligand 1 | x-ray diffraction | A, B | IDW, SO4 | 4 (best 0.62) |
| 7Z5W | ROS1 with astrazeneca ligand 1 | x-ray diffraction | A, B | IDW, SO4 | — |
| 7Z5X | ROS1 with AstraZeneca ligand 2 | x-ray diffraction | A, B | AWJ | 5 (best 0.58) |
| 7Z5X | ROS1 with astrazeneca ligand 2 | x-ray diffraction | A, B | AWJ | — |
| P08922 | AlphaFold monomer V2.0 prediction for proto-oncogene tyrosine-protein kinase ROS (P08922) | predicted | A | — | 20 (best 0.82) |
Ligands
- AWJ · (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol · in 2 records
- IDW · ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine · in 2 records
- SO4 · Sulfate ion · in 2 records
Experiment against prediction
- 4UXL chain A against the predicted model P08922: TM-score 0.98, RMSD 0.83 Å
- 4UXL chain A against the predicted model P08922: TM-score 0.98, RMSD 0.83 Å
- 3ZBF chain A against the predicted model P08922: TM-score 0.98, RMSD 0.82 Å
- 3ZBF chain A against the predicted model P08922: TM-score 0.98, RMSD 0.82 Å
- 7Z5X chain A against the predicted model P08922: TM-score 0.97, RMSD 1.10 Å
- 7Z5X chain A against the predicted model P08922: TM-score 0.97, RMSD 1.10 Å
- 7Z5X chain B against the predicted model P08922: TM-score 0.96, RMSD 1.31 Å
- 7Z5X chain B against the predicted model P08922: TM-score 0.96, RMSD 1.31 Å
- 7Z5W chain A against the predicted model P08922: TM-score 0.96, RMSD 1.35 Å
- 7Z5W chain A against the predicted model P08922: TM-score 0.96, RMSD 1.35 Å
Elsewhere
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