5YQL

Crystal structure of Sirt2 in complex with selective inhibitor A2I

Summary for 5YQL

Entry DOI	10.2210/pdb5yql/pdb
Descriptor	NAD-dependent protein deacetylase sirtuin-2, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, ZINC ION, ... (5 entities in total)
Functional Keywords	nad-dependent deacetylase sirtuin-2, inhibitor, complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	35050.82
Authors	Wang, H.,Yu, Y.,Li, G.,Chen, Q. (deposition date: 2017-11-07, release date: 2018-10-17, Last modification date: 2023-11-22)
Primary citation	Yang, L.L.,Wang, H.L.,Zhong, L.,Yuan, C.,Liu, S.Y.,Yu, Z.J.,Liu, S.,Yan, Y.H.,Wu, C.,Wang, Y.,Wang, Z.,Yu, Y.,Chen, Q.,Li, G.B. X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155:806-823, 2018 Cited by PubMed: 29957526 DOI: 10.1016/j.ejmech.2018.06.041 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.601 Å)

Structure validation