2VKM

Crystal structure of GRL-8234 bound to BACE (Beta-secretase)

2VKM の概要

関連するPDBエントリー1FKN 1PY1 1TQF 1UJJ 1UJK 1XN2 1XN3 1YM2 2B8L 2B8V 2VA5 2VA6 2VA7 2VIE 2VIJ 2VIY 2VJ7 1M4H 1SGZ 1W50 1W51 1XS7 1YM4 2VIZ 2VJ6
分子名称BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (3 entities in total)
機能のキーワードalternative splicing, aspartyl protease, aspartic protease, glycoprotein, transmembrane, beta secretase, app, bace, a-beta, x- ray, zymogen, membrane, protease, memapsin, hydrolase, alzheimer, drug design
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Membrane; Single-pass type I membrane protein P56817
ポリマー鎖数4
分子量合計175886.45
構造登録者
Hong, L.,Tang, J.,Ghosh, A.K. (登録日: 2007-12-04, 公開日: 2008-12-16, 最終更新日: 2011-07-13)
主引用文献
Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Kulkarni, S.,Xu, X.,Miller, H.B.,Reddy, D.S.,Weerasena, V.,Turner, R.,Chang, W.,Koelsch, G.,Tang, J.
Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18:1031-, 2008
PubMed: 18180160 (主引用文献が同じPDBエントリー)
DOI: 10.1016/J.BMCL.2007.12.028
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.05 Å)
NMR情報
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.242100.8%2.9%4.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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