ROS1 with astrazeneca ligand 1

Structure

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

Ligands and binding sites

• 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 · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 774 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 7Z5W · ROS1 with AstraZeneca ligand 1 · 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 0.96

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 7Z5W · PDBe 7Z5W · UniProt P08922