5DY4

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

5DY4 の概要

• エントリーDOI: 10.2210/pdb5dy4/pdb
• 分子名称: 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)
• 機能のキーワード: hydrolase, hydrolase inhibitor complex
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus. Isoform 1: Cytoplasm . Isoform 2: Cytoplasm . Isoform 5: Cytoplasm : Q8IXJ6
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35645.01

構造登録者

Rumpf, T.,Gerhardt, S.,Einsle, O.,Jung, M. (登録日: 2015-09-24, 公開日: 2016-01-13, 最終更新日: 2024-01-10)

• 主引用文献: 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; PubMed: 26696402; DOI: 10.1021/acs.jmedchem.5b01517

実験手法

X-RAY DIFFRACTION (1.77 Å)