Fragment-based Discovery of an apoE4 Stabilizer

Summary for 6NCO

DescriptorApolipoprotein E, 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide (3 entities in total)
Functional Keywordslipid binding, lipid transport
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight21866.08
Jakob, C.G.,Qiu, W. (deposition date: 2018-12-11, release date: 2019-04-17, Last modification date: 2019-05-08)
Primary citation
Petros, A.M.,Korepanova, A.,Jakob, C.G.,Qiu, W.,Panchal, S.C.,Wang, J.,Dietrich, J.D.,Brewer, J.T.,Pohlki, F.,Kling, A.,Wilcox, K.,Lakics, V.,Bahnassawy, L.,Reinhardt, P.,Partha, S.K.,Bodelle, P.M.,Lake, M.,Charych, E.I.,Stoll, V.S.,Sun, C.,Mohler, E.G.
Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62:4120-4130, 2019
PubMed: 30933499 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00178
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22430 0.8%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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