3UNQ

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

Summary for 3UNQ

Entry DOI	10.2210/pdb3unq/pdb
Related	1V2K 3UNP 3UNS 3UPE 3UQO 3UQV 3UQZ
Descriptor	Cationic trypsin, CALCIUM ION, BENZAMIDINE, ... (8 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)
Total number of polymer chains	1
Total formula weight	24221.23
Authors	Tziridis, A.,Neumann, P.,Kolenko, P.,Stubbs, M.T. (deposition date: 2011-11-16, 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 Cited by PubMed: 25003390 DOI: 10.1515/hsz-2014-0158 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.62 Å)

Structure validation