4WUY

Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor

4WUY の概要

分子名称N-lysine methyltransferase SMYD2, 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, S-ADENOSYL-L-HOMOCYSTEINE, ... (6 entities in total)
機能のキーワードsmyd2 - lly-507, transferase-transferase inhibitor complex, transferase/transferase inhibitor
由来する生物種Homo sapiens (Human)
細胞内の位置Cytoplasm, cytosol  Q9NRG4
ポリマー鎖数1
分子量合計52272.22
構造登録者
主引用文献
Nguyen, H.,Allali-Hassani, A.,Antonysamy, S.,Chang, S.,Chen, L.H.,Curtis, C.,Emtage, S.,Fan, L.,Gheyi, T.,Li, F.,Liu, S.,Martin, J.R.,Mendel, D.,Olsen, J.B.,Pelletier, L.,Shatseva, T.,Wu, S.,Zhang, F.F.,Arrowsmith, C.H.,Brown, P.J.,Campbell, R.M.,Garcia, B.A.,Barsyte-Lovejoy, D.,Mader, M.,Vedadi, M.
LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290:13641-13653, 2015
PubMed: 25825497 (主引用文献が同じPDBエントリー)
DOI: 10.1074/jbc.M114.626861
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.63 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.202200.3%5.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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