ROS1 with astrazeneca ligand 2

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).

Ligands and binding sites

• 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 · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 684 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 7Z5X · ROS1 with AstraZeneca ligand 2 · the same entry in another collection · chain A against A, TM-score 1.00
• P08922 · AlphaFold monomer V2.0 prediction for proto-oncogene tyrosine-protein kinase ROS (P08922) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P08922
• Elsewhere: RCSB PDB 7Z5X · PDBe 7Z5X · UniProt P08922