Co-Crystal Structure of MDM2 with Inhibitor Compound 47

Summary for 4ODF

DescriptorE3 ubiquitin-protein ligase Mdm2, 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic 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 chains1
Total molecular weight12704.7
Shaffer, P.L.,Huang, X.,Yakowec, P.,Long, A.M. (deposition date: 2014-01-10, release date: 2014-04-02, Last modification date: 2017-11-22)
Primary citation
Gonzalez, A.Z.,Li, Z.,Beck, H.P.,Canon, J.,Chen, A.,Chow, D.,Duquette, J.,Eksterowicz, J.,Fox, B.M.,Fu, J.,Huang, X.,Houze, J.,Jin, L.,Li, Y.,Ling, Y.,Lo, M.C.,Long, A.M.,McGee, L.R.,McIntosh, J.,Oliner, J.D.,Osgood, T.,Rew, Y.,Saiki, A.Y.,Shaffer, P.,Wortman, S.,Yakowec, P.,Yan, X.,Ye, Q.,Yu, D.,Zhao, X.,Zhou, J.,Olson, S.H.,Sun, D.,Medina, J.C.
Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57:2963-2988, 2014
PubMed: 24601644 (PDB entries with the same primary citation)
DOI: 10.1021/jm401911v
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.3091008.0%2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution