Porcine pancreatic elastase complexed with (3S, 4R)-1- toluenesulphonyl-3-ethyl-azetidin-2-one-4-carboxylic acid

Structure

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

Ligands and binding sites

• 2BL · (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic 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

• 1BTU · Porcine pancreatic elastase complexed with (3S… · 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 1BTU · PDBe 1BTU · UniProt P00772