Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug resistance.

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).

Ligands and binding sites

• AU5 · 9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one · ligand · chains A
• 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol · additive · 4 copies · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · chains A
• DMS · Dimethyl sulfoxide · 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

• 5AP3 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · the same entry in another collection · chain A against A, TM-score 1.00

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 P33981
• Elsewhere: RCSB PDB 5AP3 · PDBe 5AP3 · UniProt P33981