Calpain 1 proteolytic core inactivated by zlak-3001, an alpha- ketoamide

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Ligands and binding sites

• GRD · benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate · ligand · chains A
• CA · Calcium ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · 3 copies · chains A
• GOL · Glycerol · additive · 2 copies · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 2R9C · Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide · the same entry in another collection · chain A against A, TM-score 1.00
• P97571 · AlphaFold monomer V2.0 prediction for calpain-1 catalytic subunit (P97571) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P97571
• Elsewhere: RCSB PDB 2R9C · PDBe 2R9C · UniProt P97571