Role of altered sialylation of the I-like domain of beta1 integrin in the binding of fibronectin to beta1 integrin: thermodynamics and conformational analyses.

Biophysical Journal
Di Pan, Yuhua Song

Abstract

N-glycosylation of the I-like domain of beta1 integrin plays an essential role in integrin structure and function, and the altered sialylation of beta1 integrin regulates beta1 integrin binding to fibronectin. However, the structural basis underlying the effect of altered sialylation of the beta1 I-like domain on beta1 integrin binding to fibronectin remains largely unknown. In this study, we used a combination of molecular dynamics simulations and binding free energy analyses to investigate changes in binding thermodynamics and in conformation of the glycosylated beta1 I-like domain-FN-III(9-10) complex caused by altered sialylation of the beta1 I-like domain. Binding free energy analyses showed that desialylation of beta1 I-like domain increased beta1 integrin binding to fibronectin, consistent with experimental results. Interaction analyses showed that altered sialylation of the beta1 I-like domain resulted in significant changes in the interaction of the N-glycans of the I-like domain with both the I-like domain and fibronectin, and these changes could directly affect the allosteric regulation of the interaction between the I-like domain and fibronectin. Altered sialylation of the beta1 I-like domain caused significant conf...Continue Reading

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Citations

Mar 25, 2017·Protein Science : a Publication of the Protein Society·Lingyun WangYuhua Song
May 2, 2019·Journal of the American Society of Nephrology : JASN·Kristina M NiculovicAnja K Münster-Kühnel
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Jun 5, 2014·The Journal of Biological Chemistry·Tomoya IsajiJianguo Gu
Apr 15, 2021·Scientific Reports·Andrzej T SlominskiYuhua Song
Jul 3, 2021·Frontiers in Chemistry·Ding LiuLei Li
Aug 21, 2021·Journal of Biomolecular Structure & Dynamics·Yuwei SongYuhua Song

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