4UVX

Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one

Summary for 4UVX

Related4UVL 4UVN 4UVO 4UVP 4UVS 4UVT 4UVU 4UVV 4UVW 4UVY 4UVZ
DescriptorTANKYRASE-2, SULFATE ION, GLYCEROL, ... (6 entities in total)
Functional Keywordstransferase, protein-ligand complex, diphtheria toxin like fold, adp- ribosylation, transferase-transferase inhibitor complex
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains2
Total molecular weight55846.16
Authors
Haikarainen, T.,Narwal, M.,Lehtio, L. (deposition date: 2014-08-08, release date: 2015-07-29, Last modification date: 2019-02-06)
Primary citation
Paine, H.A.,Nathubhai, A.,Woon, E.C.Y.,Sunderland, P.T.,Wood, P.J.,Mahon, M.F.,Lloyd, M.D.,Thompson, A.S.,Haikarainen, T.,Narwal, M.,Lehtio, L.,Threadgill, M.D.
Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23:5891-, 2015
PubMed: 26189030 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMC.2015.06.061
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.95 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21410 0.3% 7.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution