3MS4

Glycogen phosphorylase complexed with 4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone

Summary for 3MS4

Related3MQF 3MRT 3MRV 3MRX 3MS2 3MS7 3MSC 3MT7 3MT8 3MT9 3MTA 3MTB 3MTD
DescriptorGlycogen phosphorylase, muscle form, N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine (3 entities in total)
Functional Keywordsglycogenolysis, type 2 diabetes, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceOryctolagus cuniculus (European rabbit,Japanese white rabbit,domestic rabbit,rabbits)
Total number of polymer chains1
Total molecular weight98338.08
Authors
Alexacou, K.-M. (deposition date: 2010-04-29, release date: 2011-01-05, Last modification date: 2019-07-17)
Primary citation
Alexacou, K.M.,Tenchiu Deleanu, A.C.,Chrysina, E.D.,Charavgi, M.D.,Kostas, I.D.,Zographos, S.E.,Oikonomakos, N.G.,Leonidas, D.D.
The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18:7911-7922, 2010
PubMed: 20947361 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2010.09.039
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.07 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23330 4.6% 2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution