5DY4

Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+

Summary for 5DY4

Entry DOI	10.2210/pdb5dy4/pdb
Descriptor	NAD-dependent protein deacetylase sirtuin-2, ZINC ION, N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, ... (5 entities in total)
Functional Keywords	hydrolase, hydrolase inhibitor complex
Biological source	Homo sapiens (Human)
Cellular location	Nucleus. Isoform 1: Cytoplasm . Isoform 2: Cytoplasm . Isoform 5: Cytoplasm : Q8IXJ6
Total number of polymer chains	1
Total formula weight	35645.01
Authors	Rumpf, T.,Gerhardt, S.,Einsle, O.,Jung, M. (deposition date: 2015-09-24, release date: 2016-01-13, Last modification date: 2024-01-10)
Primary citation	Schiedel, M.,Rumpf, T.,Karaman, B.,Lehotzky, A.,Olah, J.,Gerhardt, S.,Ovadi, J.,Sippl, W.,Einsle, O.,Jung, M. Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study. J.Med.Chem., 59:1599-1612, 2016 Cited by PubMed: 26696402 DOI: 10.1021/acs.jmedchem.5b01517 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.77 Å)

Structure validation