5T4H

Human DPP4 in complex with ligand 34n

Summary for 5T4H

Related5T4E 5T4B 5T4F
DescriptorDipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, ... (5 entities in total)
Functional Keywordsstructure-based drug design, diabetes, dpp4 inhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
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 weight174060.24
Authors
Scapin, G. (deposition date: 2016-08-29, release date: 2016-10-05, Last modification date: 2016-10-26)
Primary citation
Pissarnitski, D.A.,Zhao, Z.,Cole, D.,Wu, W.L.,Domalski, M.,Clader, J.W.,Scapin, G.,Voigt, J.,Soriano, A.,Kelly, T.,Powles, M.A.,Yao, Z.,Burnett, D.A.
Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Bioorg.Med.Chem., 24:5534-5545, 2016
PubMed: 27670099 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2016.09.007
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.61 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22720.1%2.9%0.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution