Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine

Summary for 2OQV

DescriptorDipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV), (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE (2 entities in total)
Functional Keywordsserine-peptidase, inhibitor, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationDipeptidyl peptidase 4 soluble form: Secreted . Cell membrane ; Single- pass type II membrane protein P27487
Total number of polymer chains2
Total molecular weight168967.16
Pei, Z.,Li, X.,von Geldern, T.W.,Longenecker, K.L.,Pireh, D.,Stewart, K.D. (deposition date: 2007-02-01, release date: 2007-04-24, Last modification date: 2017-10-18)
Primary citation
Pei, Z.,Li, X.,Geldern, T.W.,Longenecker, K.,Pireh, D.,Stewart, K.D.,Backes, B.J.,Lai, C.,Lubben, T.H.,Ballaron, S.J.,Beno, D.W.,Kempf-Grote, A.J.,Sham, H.L.,Trevillyan, J.M.
Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50:1983-1987, 2007
PubMed: 17367123 (PDB entries with the same primary citation)
DOI: 10.1021/jm061436d
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.299121.2%10.6%1.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2oqv
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Molmil generated image of 2oqv
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Molmil generated image of 2oqv
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