5V8U

Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain

5V8U の概要

• エントリーDOI: 10.2210/pdb5v8u/pdb
• 関連するPDBエントリー: 5V8P 5V8R
• 分子名称: Botulinum neurotoxin type A, ZINC ION, N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide, ... (4 entities in total)
• 機能のキーワード: metalloprotease, drug design, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Clostridium botulinum
• 細胞内の位置: Botulinum neurotoxin A light chain: Secreted. Botulinum neurotoxin A heavy chain: Secreted: P10845
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 102295.98

構造登録者

Allen, K.N.,Silvaggi, N.R. (登録日: 2017-03-22, 公開日: 2017-07-26, 最終更新日: 2023-10-04)

• 主引用文献: Jacobson, A.R.,Adler, M.,Silvaggi, N.R.,Allen, K.N.,Smith, G.M.,Fredenburg, R.A.,Stein, R.L.,Park, J.B.,Feng, X.,Shoemaker, C.B.,Deshpande, S.S.,Goodnough, M.C.,Malizio, C.J.,Johnson, E.A.,Pellett, S.,Tepp, W.H.,Tzipori, S.; Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.; Toxicon, 137:36-47, 2017; PubMed: 28698055; DOI: 10.1016/j.toxicon.2017.06.016

実験手法

X-RAY DIFFRACTION (2.05 Å)