Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid

Summary for 4JWR

Related4JV9 4JV7 4JVE 4JVR
DescriptorE3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid (3 entities in total)
Functional Keywordsp53, protein-protein interaction, ligase-ligase inhibitor complex, ligase/ligase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus, nucleoplasm Q00987
Total number of polymer chains3
Total molecular weight34653.98
Shaffer, P.L. (deposition date: 2013-03-27, release date: 2013-05-01, Last modification date: 2013-06-05)
Primary citation
Gonzalez-Lopez de Turiso, F.,Sun, D.,Rew, Y.,Bartberger, M.D.,Beck, H.P.,Canon, J.,Chen, A.,Chow, D.,Correll, T.L.,Huang, X.,Julian, L.D.,Kayser, F.,Lo, M.C.,Long, A.M.,McMinn, D.,Oliner, J.D.,Osgood, T.,Powers, J.P.,Saiki, A.Y.,Schneider, S.,Shaffer, P.,Xiao, S.H.,Yakowec, P.,Yan, X.,Ye, Q.,Yu, D.,Zhao, X.,Zhou, J.,Medina, J.C.,Olson, S.H.
Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56:4053-4070, 2013
PubMed: 23597064 (PDB entries with the same primary citation)
DOI: 10.1021/jm400293z
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.276202.9%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload