Crystal structure of a binary complex between an mutant trypsin inhibitor with bovine trypsin

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 37% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1227 Ų buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

• 3I29 · Crystal structure of a binary complex between an mutant trypsin inhibitor with bovine… · the same entry in another collection · chain B against B, 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
• 1TNL · 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
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · 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
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• P10822 · AlphaFold monomer V2.0 prediction for chymotrypsin inhibitor 3 (P10822) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 P10822
• Elsewhere: RCSB PDB 3I29 · PDBe 3I29 · UniProt P00760 · UniProt P10822