RSK2 C-terminal kinase domain with inhibitor (E)-methyl 3-(4-amino-7- (3-hydroxypropyl)-5-P-tolyl-7H-PYRROLO[2,3-D]PYRIMIDIN-6-yl)-2- cyanoacrylate

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Ligands and binding sites

• 0JG · methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate · ligand · chains A
• NA · Sodium ion · metal · chains A

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.

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 4D9T · Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl… · the same entry in another collection · chain A against A, TM-score 1.00
• P51812 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-3 (P51812) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P51812
• Elsewhere: RCSB PDB 4D9T · PDBe 4D9T · UniProt P51812