Crystal structure of phosphorylated ret tyrosine kinase domain complexed with a PYRROLO[2,3-D]PYRIMIDINE inhibitor.

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).

Ligands and binding sites

• 7QU · 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one · ligand · 2 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1348 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (phosphorylation).

Compared structures

• 7RUN · Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P07949 · AlphaFold monomer V2.0 prediction for proto-oncogene tyrosine-protein kinase receptor ret… · a predicted model of the same protein · chain B 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 P07949
• Elsewhere: RCSB PDB 7RUN · PDBe 7RUN · UniProt P07949