MST3 in complex with pp-121, 1-cyclopentyl-3-(1H-PYRROLO[2,3- B]PYRIDIN-5-yl)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-amine

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

Ligands and binding sites

• KS1 · 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine · ligand · chains A
• EDO · 1,2-ethanediol · additive · chains A
• ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 4QMW · MST3 in complex with pp-121, 1-cyclopentyl-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-yl)-1H-PYRAZOLO[3… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Y6E0 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 24 (Q9Y6E0) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 Q9Y6E0
• Elsewhere: RCSB PDB 4QMW · PDBe 4QMW · UniProt Q9Y6E0