The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 32% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · chains Z
• SO4 · Sulfate ion · ion · 2 copies · chains I

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

Interfaces

1 interface between chains.

• Z–I · 727 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

• 3TPI · The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and… · the same entry in another collection · chain I against I, TM-score 1.00
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.98
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.98
• 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.98
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.98
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.98
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.98
• P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain I against A, TM-score 0.96

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
• Every structure of UniProt P00974
• Elsewhere: RCSB PDB 3TPI · PDBe 3TPI · UniProt P00760 · UniProt P00974