Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors

Structure

x-ray diffraction · resolution 1.63 · 1 distinct chain · 10% helix, 35% strand (DSSP).

Ligands and binding sites

• 656 · 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-isobutoxybenzenolate · ligand · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · chains A
• SO4 · Sulfate ion · ion · chains A

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

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 1O2K · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 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
• P00760 · AlphaFold monomer V2.0 prediction for cationic trypsin (P00760) · 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
• 1TNI · 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
• 1TNL · 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 1O2K · PDBe 1O2K · UniProt P00760