Co-complex structure of bovine trypsin with a modified bowman-birk inhibitor (ICA)SFTI-1(1,14), that was 1,5- disubstituted with 1,2,3-trizol to mimic a cis amide bond

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 36% strand (DSSP).

Ligands and binding sites

• PLW · (2S)-2-[5-(1S,2S)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid · ligand · chains A, B
• CA · Calcium ion · metal · chains A
• SO4 · Sulfate ion · ion · chains A
• GOL · Glycerol · additive · 4 copies · chains A
• DMF · Dimethylformamide · additive · chains A

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

Interfaces

1 interface between chains.

• A–B · 558 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

• 4ABJ · Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• Q4GWU5 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 1 (Q4GWU5) · a predicted model of the same protein · chain B against A, TM-score 0.44

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 Q4GWU5
• Elsewhere: RCSB PDB 4ABJ · PDBe 4ABJ · UniProt P00760 · UniProt Q4GWU5