Menin in complex with mi-503

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 5% strand (DSSP).

Ligands and binding sites

• 3XW · 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile · ligand · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
• PG4 · Tetraethylene glycol · additive · chains A
• EDO · 1,2-ethanediol · additive · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

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

Compared structures

• 4X5Y · Menin in complex with MI-503 · the same entry in another collection · chain A against A, TM-score 1.00
• O00255 · AlphaFold monomer V2.0 prediction for menin (O00255) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 O00255
• Elsewhere: RCSB PDB 4X5Y · PDBe 4X5Y · UniProt O00255