9VRF

Fundamental structural studies of metanaphthene and introduction of disulfide bonds

これはPDB形式変換不可エントリーです。

9VRF の概要

• エントリーDOI: 10.2210/pdb9vrf/pdb
• 分子名称: Carbaryl, naphthalen-1-yl ~{N}-methylcarbamate (3 entities in total)
• 機能のキーワード: nanobody, immune system
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 13454.92

構造登録者

Liang, C. (登録日: 2025-07-06, 公開日: 2026-07-01, 最終更新日: 2026-07-15)

主引用文献

Liang, C.X.,Liu, M.L.,Guo, P.Y.,Fang, R.Y.,Hendrickson, O.D.,Zherdev, A.V.,Wang, H.,Xu, Z.L.,Shen, X.
An Effective Way to Introduce Disulfide Bonds into Nanobodies: Using an Anticarbaryl Nanobody Structure as a Model.
J.Agric.Food Chem., 74:19995-20004, 2026

PubMed Abstract: The unique characteristics of nanobodies make them ideal candidates for diagnostic and therapeutic applications. Introducing additional disulfide bonds is one of the most effective ways to enhance a nanobody's stability. However, it always negatively affects the nanobody's affinity and expression in host cells. In this study, an anticarbaryl nanobody (NbCBR) was used as a model to investigate the strategy of additional disulfide bond introduction. The crystal structure of the NbCBR-carbaryl complex was determined, based on which molecular dynamics simulations and virtual screening were carried out. Seven disulfide bond-introduced mutants were then constructed. Compared with the wild-type nanobody, all the mutants retained good sensitivity. The results demonstrate that introducing disulfide bonds between two β-sheets or anchoring the flexible CDR3 to a β-sheet can significantly enhance the nanobody's stability under thermal, organic solvent, and pH stress conditions. This study provides a theoretical basis for rational engineering of nanobodies to improve their stability, potentially expanding their further applications.

PubMed: 42328891
DOI: 10.1021/acs.jafc.6c03602

実験手法

X-RAY DIFFRACTION (1.45 Å)