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Main Authors: Li, Lanlan, Liu, Ying, Dong, Panpan, Zhang, Hong, Li, Lin, Gao, Min, Wu, Hanyu, Sun, Lifang, Zhang, Su, You, Lianghao, Fu, Lei, Xiao, Fangnan, Hu, Xuefeng, Wu, Yunkun
Format: Artículo científico
Language:en
Published: International journal of biological macromolecules 2026
Subjects:
Online Access:https://pubmed.ncbi.nlm.nih.gov/41638280/
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author Li, Lanlan
Liu, Ying
Dong, Panpan
Zhang, Hong
Li, Lin
Gao, Min
Wu, Hanyu
Sun, Lifang
Zhang, Su
You, Lianghao
Fu, Lei
Xiao, Fangnan
Hu, Xuefeng
Wu, Yunkun
author_facet Li, Lanlan
Liu, Ying
Dong, Panpan
Zhang, Hong
Li, Lin
Gao, Min
Wu, Hanyu
Sun, Lifang
Zhang, Su
You, Lianghao
Fu, Lei
Xiao, Fangnan
Hu, Xuefeng
Wu, Yunkun
Li, Lanlan
Liu, Ying
Dong, Panpan
Zhang, Hong
Li, Lin
Gao, Min
Wu, Hanyu
Sun, Lifang
Zhang, Su
You, Lianghao
Fu, Lei
Xiao, Fangnan
Hu, Xuefeng
Wu, Yunkun
collection PubMed - marine biology
contents Significant improvement of the thermostability and catalytic efficiency of β-glucosidase Bgl59 via cysteine engineering and rational design. Li, Lanlan Liu, Ying Dong, Panpan Zhang, Hong Li, Lin Gao, Min Wu, Hanyu Sun, Lifang Zhang, Su You, Lianghao Fu, Lei Xiao, Fangnan Hu, Xuefeng Wu, Yunkun Enzyme Stability Cysteine beta-Glucosidase Protein Engineering Molecular Dynamics Simulation Temperature Biocatalysis Kinetics Mutation β-glucosidase (BGL) is essential in high-temperature industrial processes, but naturally occurring enzymes often lack sufficient thermostability. Using the wild-type Bgl59 from Devosia psychrophilaas the template, we first constructed the double-cysteine mutant A153C-N213C via disulfide-bond design. Although no disulfide bond was detected, this mutant showed improved thermal stability, including a + 2.5 °C increase in melting temperature(Tₘ) and a 1.68-fold higher catalytic efficiency. Subsequently, starting again from the wild-type template, we rationally designed the mutant M3 (A20S-N213M-A308Y) without incorporating the prior cysteine mutations. M3 exhibited further enhanced thermostability, with a + 7.2 °C rise in melting temperature(Tₘ), a + 5 °C shift in optimal temperature, a 191.3-fold longer half-life(t₁/) at 50 °C, and a 4.7-fold increase in catalytic efficiency. Molecular dynamics simulations revealed that the improved rigidity of M3 stemmed from strengthened hydrogen bonds, optimized hydrophobic interactions, and enhanced van der Waals contacts. These results demonstrate that structure-guided engineering of Bgl59 through both cysteine-based and multi-tiered protein engineering strategy can significantly enhance its thermal stability and catalytic performance, offering promising potential for industrial biocatalysis.
format Artículo científico
id pubmed_41638280
institution PubMed
language en
publishDate 2026
publisher International journal of biological macromolecules
record_format pubmed
spellingShingle Significant improvement of the thermostability and catalytic efficiency of β-glucosidase Bgl59 via cysteine engineering and rational design.
Li, Lanlan
Liu, Ying
Dong, Panpan
Zhang, Hong
Li, Lin
Gao, Min
Wu, Hanyu
Sun, Lifang
Zhang, Su
You, Lianghao
Fu, Lei
Xiao, Fangnan
Hu, Xuefeng
Wu, Yunkun
Enzyme Stability
Cysteine
beta-Glucosidase
Protein Engineering
Molecular Dynamics Simulation
Temperature
Biocatalysis
Kinetics
Mutation
Significant improvement of the thermostability and catalytic efficiency of β-glucosidase Bgl59 via cysteine engineering and rational design. Li, Lanlan Liu, Ying Dong, Panpan Zhang, Hong Li, Lin Gao, Min Wu, Hanyu Sun, Lifang Zhang, Su You, Lianghao Fu, Lei Xiao, Fangnan Hu, Xuefeng Wu, Yunkun Enzyme Stability Cysteine beta-Glucosidase Protein Engineering Molecular Dynamics Simulation Temperature Biocatalysis Kinetics Mutation β-glucosidase (BGL) is essential in high-temperature industrial processes, but naturally occurring enzymes often lack sufficient thermostability. Using the wild-type Bgl59 from Devosia psychrophilaas the template, we first constructed the double-cysteine mutant A153C-N213C via disulfide-bond design. Although no disulfide bond was detected, this mutant showed improved thermal stability, including a + 2.5 °C increase in melting temperature(Tₘ) and a 1.68-fold higher catalytic efficiency. Subsequently, starting again from the wild-type template, we rationally designed the mutant M3 (A20S-N213M-A308Y) without incorporating the prior cysteine mutations. M3 exhibited further enhanced thermostability, with a + 7.2 °C rise in melting temperature(Tₘ), a + 5 °C shift in optimal temperature, a 191.3-fold longer half-life(t₁/) at 50 °C, and a 4.7-fold increase in catalytic efficiency. Molecular dynamics simulations revealed that the improved rigidity of M3 stemmed from strengthened hydrogen bonds, optimized hydrophobic interactions, and enhanced van der Waals contacts. These results demonstrate that structure-guided engineering of Bgl59 through both cysteine-based and multi-tiered protein engineering strategy can significantly enhance its thermal stability and catalytic performance, offering promising potential for industrial biocatalysis.
title Significant improvement of the thermostability and catalytic efficiency of β-glucosidase Bgl59 via cysteine engineering and rational design.
topic Enzyme Stability
Cysteine
beta-Glucosidase
Protein Engineering
Molecular Dynamics Simulation
Temperature
Biocatalysis
Kinetics
Mutation
url https://pubmed.ncbi.nlm.nih.gov/41638280/