MST3 in complex with at-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-pyrazol-3-yl}-1H-benzimidazol-6-YL)METHYL]MORPHOLIN-4-ium

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).

Ligands and binding sites

• 35R · 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea · ligand · chains A
• CL · Chloride ion · ion · chains A
• ACT · Acetate ion · additive · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · 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

• 4QMM · MST3 in complex with at-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-pyrazol-3-yl}-1H-b… · 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 0.94

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