Menin in complex with mi-3454

Structure

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

Ligands and binding sites

• LMY · ~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide · ligand · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
• PG4 · Tetraethylene glycol · 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.

Compared structures

• 6O5I · Menin in complex with MI-3454 · 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 6O5I · PDBe 6O5I · UniProt O00255