Applied and Computational Engineering

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Proceedings of the 4th International Conference on Materials Chemistry and Environmental Engineering

Series Vol. 63 , 09 May 2024


Open Access | Article

A computational enzymatic optimization for fixing carbon dioxide to starch

Rong Gao * 1
1 Shanghai Pinghe Bilingual School

* Author to whom correspondence should be addressed.

Applied and Computational Engineering, Vol. 63, 90-99
Published 09 May 2024. © 09 May 2024 The Author(s). Published by EWA Publishing
This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Citation Rong Gao. A computational enzymatic optimization for fixing carbon dioxide to starch. ACE (2024) Vol. 63: 90-99. DOI: 10.54254/2755-2721/63/20241000.

Abstract

Carbon dioxide is fixed and processed into starch by the plants’ photosynthesis through complicated molecular pathways. While planting and cultivating crops are the major ways to harvest starch, an artificial anabolic pathway has recently been realized in China. Traditional crop production demands extended harvest periods, extensive land, and substantial water use. In contrast, the artificial pathway enhances starch synthesis efficiently, using fewer resources for a more sustainable approach. In 2021, Chinese researchers reported the anabolic starch artificial pathway (ASAP) to synthesize starch in vitro. Although the previous research established a milestone, steps need to be optimized. In this work, enzymatic starch synthesis is chosen to be further engineered, building mutants with similar catalytic functions. Computational tools are used to build an iterative docking-mutating simulation (IDMS). It can automatically finish the cycle of protein mutations and docking. Autodock and Rosetta are used in the coding. 445 different protein mutants are generated and analyzed in silico, among which the best five were chosen for experimental investigation. In the experimental analysis, mutant E shows nearly the same catalytic efficiency as the wild-type in the first hour, with a 2.5-fold expression rate.

Keywords

Protein engineering, Computational biology, Starch synthesis

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Data Availability

The datasets used and/or analyzed during the current study will be available from the authors upon reasonable request.

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Volume Title
Proceedings of the 4th International Conference on Materials Chemistry and Environmental Engineering
ISBN (Print)
978-1-83558-417-0
ISBN (Online)
978-1-83558-418-7
Published Date
09 May 2024
Series
Applied and Computational Engineering
ISSN (Print)
2755-2721
ISSN (Online)
2755-273X
DOI
10.54254/2755-2721/63/20241000
Copyright
09 May 2024
Open Access
This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited

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