8VU7

Wheat Germ Agglutinin (WGA) domain C

8VU7 の概要

• エントリーDOI: 10.2210/pdb8vu7/pdb
• NMR情報: BMRB: 31142
• 分子名称: Agglutinin isolectin 1 (1 entity in total)
• 機能のキーワード: lectin, mutidomain protein, structural stability, sugar binding protein
• 由来する生物種: Triticum aestivum (bread wheat)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 4440.05

構造登録者

Melchor-Meneses, C.M.,del Rio-Portilla, F.,Garcia-Hernandez, E. (登録日: 2024-01-29, 公開日: 2024-06-05, 最終更新日: 2024-10-23)

主引用文献

Medrano-Cerano, J.L.,Cofas-Vargas, L.F.,Leyva, E.,Rauda-Ceja, J.A.,Calderon-Vargas, M.,Cano-Sanchez, P.,Titaux-Delgado, G.,Melchor-Meneses, C.M.,Hernandez-Arana, A.,Del Rio-Portilla, F.,Garcia-Hernandez, E.
Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33:e5020-e5020, 2024

PubMed Abstract: Wheat germ agglutinin (WGA) demonstrates potential as an oral delivery agent owing to its selective binding to carbohydrates and its capacity to traverse biological membranes. In this study, we employed differential scanning calorimetry and molecular dynamics simulations to comprehensively characterize the thermal unfolding process of both the complete lectin and its four isolated domains. Furthermore, we present the nuclear magnetic resonance structures of three domains that were previously lacking experimental structures in their isolated forms. Our results provide a collective understanding of the energetic and structural factors governing the intricate unfolding mechanism of the complete agglutinin, shedding light on the specific role played by each domain in this process. The analysis revealed negligible interdomain cooperativity, highlighting instead significant coupling between dimer dissociation and the unfolding of the more labile domains. By comparing the dominant interactions, we rationalized the stability differences among the domains. Understanding the structural stability of WGA opens avenues for enhanced drug delivery strategies, underscoring its potential as a promising carrier throughout the gastrointestinal environment.

PubMed: 38747397
DOI: 10.1002/pro.5020

実験手法

SOLUTION NMR