Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 22% strand (DSSP).

Ligands and binding sites

• 1AY · (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine · ligand · chains A
• CO · Cobalt (II) ion · metal · 3 copies · chains A
• K · Potassium ion · metal · chains A
• SO4 · Sulfate ion · ion · 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.

Compared structures

• 4HXX · Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 · the same entry in another collection · chain A against A, TM-score 1.00
• P53582 · AlphaFold monomer V2.0 prediction for methionine aminopeptidase 1 (P53582) · a predicted model of the same protein · 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 P53582
• Elsewhere: RCSB PDB 4HXX · PDBe 4HXX · UniProt P53582