3PLK

Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor

Summary for 3PLK

Related1V2K 3PLB 3PLP 3PM3
DescriptorCationic trypsin, CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, ... (6 entities in total)
Functional Keywordstrypsin-like serine protease, hydrolase, protein binding, duodenum, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceBos taurus (bovine)
Cellular locationSecreted, extracellular space P00760
Total number of polymer chains1
Total molecular weight24037.09
Authors
Tziridis, A.,Neumann, P.,Braeuer, U.,Kolenko, P.,Stubbs, M.T. (deposition date: 2010-11-15, release date: 2011-12-07, Last modification date: 2014-09-24)
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 (PDB entries with the same primary citation)
DOI: 10.1515/hsz-2014-0158
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.53 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.147300.5%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload