Bovine trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3- (tert-BUTYL)UREIDO)PIPERIDIN-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)- [1,1'-biphenyl])-3-sulfonamido)-3-OXOPROPYL)BENZIMIDAMIDE (mi-1904)

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• MXH · 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea · ligand · chains A
• CA · Calcium ion · metal · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• TFA · trifluoroacetic acid · additive · chains A

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

Compared structures

• 6T9V · Bovine Trypsin in complex with the synthetic inhibitor… · 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
• 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
• 1TNK · 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

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 6T9V · PDBe 6T9V · UniProt P00760