Human DPP4 in complex with ligand 34n

Summary for 5T4H

Related5T4E 5T4B 5T4F
DescriptorDipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 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 weight173934.13
Scapin, G. (deposition date: 2016-08-29, release date: 2016-10-05, Last modification date: 2020-07-29)
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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2272 0.1% 2.9% 0.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-16