Porcine pancreatic elastase complexed with (3R, 4S)N-para- toluenesulphonyl-3-ethyl-4-(carboxylic ACID)PYRROLIDIN-2-one

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 39% strand (DSSP).

Ligands and binding sites

• TPX · (2S,3S)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid · ligand · chains A
• CA · Calcium ion · metal · chains A
• SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.

Modifications

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

Compared structures

• 1QGF · Porcine pancreatic elastase complexed with (3R… · the same entry in another collection · chain A against A, 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 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 P00772
• Elsewhere: RCSB PDB 1QGF · PDBe 1QGF · UniProt P00772