2IIT

Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor

Summary for 2IIT

Related2IIV
DescriptorDipeptidyl peptidase 4 soluble form, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
Functional Keywordshydrolase; alpha/beta; beta-propeller; dimer, 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 weight174945.83
Authors
Scapin, G.,Biftu, T.,Weber, A.E. (deposition date: 2006-09-28, release date: 2006-11-28, Last modification date: 2020-07-29)
Primary citation
Biftu, T.,Feng, D.,Qian, X.,Liang, G.B.,Kieczykowski, G.,Eiermann, G.,He, H.,Leiting, B.,Lyons, K.,Petrov, A.,Sinha-Roy, R.,Zhang, B.,Scapin, G.,Patel, S.,Gao, Y.D.,Singh, S.,Wu, J.,Zhang, X.,Thornberry, N.A.,Weber, A.E.
(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17:49-52, 2007
PubMed: 17055272 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2006.09.099
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.35 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2188 0.1% 1.7% 2.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
170172
PDB entries from 2020-10-21