Crystal structure of TNKS2 in complex with (5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione

Summary for 5OWT

DescriptorTankyrase-2, SULFATE ION, (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, ... (5 entities in total)
Functional Keywordstankyrase, inhibitor, artd6, parp5b, adp-ribosyltransferase, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight55783.26
Nkizinkiko, Y.,Haikarainen, T.,Lehtio, L. (deposition date: 2017-09-04, release date: 2018-05-02, Last modification date: 2019-10-16)
Primary citation
Nkizinkiko, Y.,Desantis, J.,Koivunen, J.,Haikarainen, T.,Murthy, S.,Sancineto, L.,Massari, S.,Ianni, F.,Obaji, E.,Loza, M.I.,Pihlajaniemi, T.,Brea, J.,Tabarrini, O.,Lehtio, L.
2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8:1680-1680, 2018
PubMed: 29374194 (PDB entries with the same primary citation)
DOI: 10.1038/s41598-018-19872-3
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23940 1.4% 4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-10-21