Crystal structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 a resolution

Structure

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

Ligands and binding sites

• ONO · 2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid · ligand · 2 copies · chains A
• BEN · Benzamidine · ligand · chains A
• CA · Calcium ion · metal · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
• GOL · Glycerol · additive · 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

• 2AYW · Crystal Structure of the complex formed between trypsin and a designed synthetic highly… · the same entry in another collection · 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
• 1TNH · 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
• 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
• 1TNI · 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 2AYW · PDBe 2AYW · UniProt P00760