Crystal structure of human proto-oncogene tyrosine-protein kinase receptor ret in complex with 4-amino-7-(1-methylcyclopropyl)-N-(5- methyl-1H-pyrazol-3-YL)PYRROLO[2,3-D]PYRIMIDINE-5-carboxamide

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).

Ligands and binding sites

• HJ0 · 4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide · ligand · 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 · 1433 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

• 7DUA · Crystal structure of human Proto-oncogene tyrosine-protein kinase receptor Ret in complex… · 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 7DUA · PDBe 7DUA · UniProt P07949