A comparative study on the inhibition of bovine beta-trypsin by bis- benzamidines diminazene and pentamidine by X-ray crystallography and itc

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 37% strand (DSSP).

Ligands and binding sites

• PNT · 1,5-bis(4-amidinophenoxy)pentane · ligand · chains A
• CA · Calcium ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 7 copies · 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

• 3GY3 · A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines… · the same entry in another collection · 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 0.99
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99

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 3GY3 · PDBe 3GY3 · UniProt P00760