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3V0C

4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F)

3V0C の概要
エントリーDOI10.2210/pdb3v0c/pdb
分子名称BoNT/A, ZINC ION (2 entities in total)
機能のキーワードbotulinum neurotoxin, toxin, neurotoxin associated protein, progenitor toxin complex, vhh bound interlocked complex, ntnha
由来する生物種Clostridium botulinum
タンパク質・核酸の鎖数1
化学式量合計151264.13
構造登録者
Gu, S.,Rumpel, S.,Zhou, J.,Strotmeier, J.,Bigalke, H.,Perry, K.,Shoemaker, C.B.,Rummel, A.,Jin, R. (登録日: 2011-12-07, 公開日: 2012-03-14, 最終更新日: 2024-10-16)
主引用文献Gu, S.,Rumpel, S.,Zhou, J.,Strotmeier, J.,Bigalke, H.,Perry, K.,Shoemaker, C.B.,Rummel, A.,Jin, R.
Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335:977-981, 2012
Cited by
PubMed Abstract: Botulinum neurotoxins (BoNTs) are highly poisonous substances that are also effective medicines. Accidental BoNT poisoning often occurs through ingestion of Clostridium botulinum-contaminated food. Here, we present the crystal structure of a BoNT in complex with a clostridial nontoxic nonhemagglutinin (NTNHA) protein at 2.7 angstroms. Biochemical and functional studies show that NTNHA provides large and multivalent binding interfaces to protect BoNT from gastrointestinal degradation. Moreover, the structure highlights key residues in BoNT that regulate complex assembly in a pH-dependent manner. Collectively, our findings define the molecular mechanisms by which NTNHA shields BoNT in the hostile gastrointestinal environment and releases it upon entry into the circulation. These results will assist in the design of small molecules for inhibiting oral BoNT intoxication and of delivery vehicles for oral administration of biologics.
PubMed: 22363010
DOI: 10.1126/science.1214270
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (4.3 Å)
構造検証レポート
Validation report summary of 3v0c
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-06-11に公開中

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