4PV7

Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor

Summary for 4PV7

DescriptorDipeptidyl peptidase 4 soluble form, 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine (2 entities in total)
Functional Keywordsbeta-propeller, hydrolase, extrocellular side, 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 weight175329.77
Authors
Xiao, P.,Guo, R.,Huang, S.,Cui, H.,Ye, S.,Zhang, Z. (deposition date: 2014-03-15, release date: 2015-03-18)
Primary citation
Xiao, P.,Guo, R.,Huang, S.,Cui, H.,Ye, S.,Zhang, Z.
Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold
Chin.Chem.Lett., 25:673-676, 2014
DOI: 10.1016/j.cclet.2014.03.047
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.24 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25870.2%7.8%6.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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