The leupeptin-trypsin covalent complex at 1.14 a resolution

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 35% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · chains X, A
• CA · Calcium ion · metal · chains X
• SO4 · Sulfate ion · ion · 2 copies · chains X, A

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

Interfaces

1 interface between chains.

• X–A · 379 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 covalent, 1 modified (disulfide, covalent ligand, nonstandard).

Compared structures

• 2AGI · The leupeptin-trypsin covalent complex at 1.14 A resolution · the same entry in another collection · chain X against X, TM-score 1.00
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
• 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X 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 P00760
• Elsewhere: RCSB PDB 2AGI · PDBe 2AGI · UniProt P00760