4Q6R

Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

4Q6R の概要

• エントリーDOI: 10.2210/pdb4q6r/pdb
• 関連するPDBエントリー: 1HBX 3MC6
• 分子名称: Sphingosine-1-phosphate lyase 1, SUCCINIC ACID, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: plp, pyridoxal 5-phosphate-dependent enzymes, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane; Single-pass type III membrane protein: O95470
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114950.23

構造登録者

Srinivas, H. (登録日: 2014-04-23, 公開日: 2014-05-21, 最終更新日: 2023-12-06)

• 主引用文献: Weiler, S.,Braendlin, N.,Beerli, C.,Bergsdorf, C.,Schubart, A.,Srinivas, H.,Oberhauser, B.,Billich, A.; Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis.; J.Med.Chem., 57:5074-5084, 2014; PubMed: 24809814; DOI: 10.1021/jm500338n

実験手法

X-RAY DIFFRACTION (2.4 Å)