Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31

Summary for 2OAE

DescriptorDipeptidyl peptidase 4, SULFATE ION, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE (3 entities in total)
Functional Keywordsserine-peptidase, inhibitor complex, hydrolase
Biological sourceRattus norvegicus (Norway rat)
Cellular locationDipeptidyl peptidase 4 soluble form: Secreted. Cell membrane; Single-pass type II membrane protein P14740
Total number of polymer chains2
Total molecular weight169097.66
Longenecker, K.L.,Shuai, Q.,Patel, J.,Wiedeman, P. (deposition date: 2006-12-15, release date: 2007-02-27, Last modification date: 2017-10-18)
Primary citation
Backes, B.J.,Longenecker, K.,Hamilton, G.L.,Stewart, K.,Lai, C.,Kopecka, H.,von Geldern, T.W.,Madar, D.J.,Pei, Z.,Lubben, T.H.,Zinker, B.A.,Tian, Z.,Ballaron, S.J.,Stashko, M.A.,Mika, A.K.,Beno, D.W.,Kempf-Grote, A.J.,Black-Schaefer, C.,Sham, H.L.,Trevillyan, J.M.
Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17:2005-2012, 2007
PubMed: 17276063 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2007.01.026
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.268253.6%7.1%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution