5AL5

Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one

Summary for 5AL5

Related5AKU 5AKW 5AL1 5AL2 5AL3 5AL4
DescriptorTANKYRASE-2, ZINC ION, SULFATE ION, ... (6 entities in total)
Functional Keywordstransferase, protein-ligand complex, diphtheria toxin like fold, adp- ribosylation, transferase-transferase inhibitor complex
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm Q9H2K2
Total number of polymer chains2
Total molecular weight55949.6
Authors
Nkizinkiko, Y.,Lehtio, L. (deposition date: 2015-03-06, release date: 2015-07-29, Last modification date: 2015-08-12)
Primary citation
Nkizinkiko, Y.,Suneel Kumar, B.V.S.,Jeankumar, V.U.,Haikarainen, T.,Koivunen, J.,Madhuri, C.,Yogeeswari, P.,Venkannagari, H.,Obaji, E.,Pihlajaniemi, T.,Sriram, D.,Lehtio, L.
Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23:4139-, 2015
PubMed: 26183543 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMC.2015.06.063
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.05 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.223100.8%4.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report