3HAB

The structure of DPP4 in complex with piperidine fused benzimidazole 25

Summary for 3HAB

Related3HAC
DescriptorDipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ... (6 entities in total)
Functional Keywordsalpha/beta, beta-propeller, dimer, hydrolase, diabetes, aminopeptidase, cell membrane, disulfide bond, glycoprotein, membrane, protease, secreted, serine protease, signal-anchor, transmembrane, 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 weight174633.66
Authors
Scapin, G. (deposition date: 2009-05-01, release date: 2009-07-21, Last modification date: 2011-07-13)
Primary citation
Edmondson, S.D.,Mastracchio, A.,Cox, J.M.,Eiermann, G.J.,He, H.,Lyons, K.A.,Patel, R.A.,Patel, S.B.,Petrov, A.,Scapin, G.,Wu, J.K.,Xu, S.,Zhu, B.,Thornberry, N.A.,Roy, R.S.,Weber, A.E.
Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19:4097-4101, 2009
PubMed: 19539471 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2009.06.011
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.21820.1%1.7%4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report