Structure of CDC2-like kinase 2 (CLK2) in complex with compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-PYRROLO[2, 3-D]PYRIMIDINE-2,4-diamine]

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

Ligands and binding sites

• 8FY · N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine · ligand · 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 · 1454 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

• 5UNP · Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025… · the same entry in another collection · chain A against A, TM-score 1.00
• P49760 · AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK2 (P49760) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P49760
• Elsewhere: RCSB PDB 5UNP · PDBe 5UNP · UniProt P49760