Robotically harvested trypsin complexed with benzamidine containing polypeptide mediated crystal contacts

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 33% strand (DSSP).

Ligands and binding sites

• BEN · Benzamidine · ligand · chains A, C
• IPH · Phenol · ligand · chains A
• CA · Calcium ion · metal · chains A
• NA · Sodium ion · metal · chains A

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

Interfaces

3 interfaces between chains.

• A–B · 272 Ų buried · 3 hydrogen bonds · protein-protein
• A–C · 200 Ų buried · 5 hydrogen bonds · protein-protein
• B–C · 29 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 2J9N · Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated… · 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
• 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
• 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
• 1TNK · Prediction of novel serine protease inhibitors · 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 P00760
• Elsewhere: RCSB PDB 2J9N · PDBe 2J9N · UniProt P00760