Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 38% strand (DSSP).

Ligands and binding sites

• FR1 · 2-[4-[[(S)-1-[[(S)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid · ligand · chains N
• CA · Calcium ion · metal · chains N
• SO4 · Sulfate ion · ion · chains N

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.

Modifications

Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 1MMJ · Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706 · the same entry in another collection · chain N against N, TM-score 1.00
• P00772 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 1 (P00772) · a predicted model of the same protein · chain N 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 P00772
• Elsewhere: RCSB PDB 1MMJ · PDBe 1MMJ · UniProt P00772