2FS9

Human beta tryptase II with inhibitor CRA-28427

2FS9 の概要

• エントリーDOI: 10.2210/pdb2fs9/pdb
• 関連するPDBエントリー: 2FS8
• 分子名称: Tryptase beta-2, ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE (3 entities in total)
• 機能のキーワード: serine protease, serine proteinase, 28427, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted: P20231
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 112044.07

構造登録者

Somoza, J.R. (登録日: 2006-01-21, 公開日: 2006-03-07, 最終更新日: 2024-10-16)

主引用文献

McGrath, M.E.,Sprengeler, P.A.,Hirschbein, B.,Somoza, J.R.,Lehoux, I.,Janc, J.W.,Gjerstad, E.,Graupe, M.,Estiarte, A.,Venkataramani, C.,Liu, Y.,Yee, R.,Ho, J.D.,Green, M.J.,Lee, C.-S.,Liu, L.,Tai, V.,Spencer, J.,Sperandio, D.,Katz, B.A.
Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45:5964-5973, 2006

PubMed Abstract: Improved peptide-based inhibitors of human beta tryptase were discovered using information gleaned from tripeptide library screening and structure-guided design methods, including fragment screening. Our efforts sought to improve this class of inhibitors by replacing the traditional Lys or Arg P1 element. The optimized compounds display low nanomolar potency against the mast cell target and several hundred-fold selectivity with respect to serine protease off targets. Thus, replacement of Lys/Arg at P1 in a peptide-like scaffold does not need to be accompanied by a loss in target affinity.

PubMed: 16681368
DOI: 10.1021/bi060173m

実験手法

X-RAY DIFFRACTION (2.3 Å)