3UPE

Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor

Summary for 3UPE

• Entry DOI: 10.2210/pdb3upe/pdb
• Related: 1V2K 3UNP 3UNQ 3UNS 3UQO 3UQV 3UQZ
• Descriptor: Cationic trypsin, CALCIUM ION, 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, ... (6 entities in total)
• Functional Keywords: trypsin-like serine protease, hydrolase, protein binding, duodenum, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Bos taurus (bovine)
• Cellular location: Secreted, extracellular space: P00760
• Total number of polymer chains: 1
• Total formula weight: 24274.35

Authors

Tziridis, A.,Neumann, P.,Kolenko, P.,Stubbs, M.T. (deposition date: 2011-11-18, release date: 2012-11-21, Last modification date: 2023-09-13)

• Primary citation: Tziridis, A.,Rauh, D.,Neumann, P.,Kolenko, P.,Menzel, A.,Brauer, U.,Ursel, C.,Steinmetzer, P.,Sturzebecher, J.,Schweinitz, A.,Steinmetzer, T.,Stubbs, M.T.; Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.; Biol.Chem., 395:891-903, 2014; PubMed: 25003390; DOI: 10.1515/hsz-2014-0158

Experimental method

X-RAY DIFFRACTION (1.54 Å)