信阳师范大学学报（自然科学版）2025，Vol.38Issue(3)：318-324,7.DOI:10.3969/j.issn.2097-583X.2025.03.010
γ-谷氨酰甲胺合成酶催化L-茶氨酸合成的分子动力学模拟
Molecular dynamics simulation on L-theanine synthesis catalyzed by γ-glutamylmethylamine synthetase
摘要
Abstract
Given that the catalytic mechanism of γ-glutamylamine synthetase in synthesizing L-theanine from L-glutamic acid and ethylamine remains unclear,molecular dynamics simulations were performed through docking γ-glutamylamine synthetase with substrate molecules such as glutamic acid and ethylamine.The binding modes of γ-glutamylamine synthetase to the substrates ATP,glutamic acid,and ethylamine were analyzed.Additionally,the mechanism of γ-glutamylamine synthetase in catalyzing the synthesis of L-theanine was explored,further refining the catalytic mechanism of this enzyme.This research endeavor establishes a fundamental basis for the construction of engineered strains that produce high yields of L-theanine.关键词
L-茶氨酸/γ-谷氨酰甲胺合成酶/分子动力学/催化机制Key words
L-theanine/γ-glutamylmethylamine synthetase/molecular dynamics/catalytic mechanism分类
生物科学引用本文复制引用
毛光志,张书佩,李茹萍,可欣,王梦蕾,代亚锋,陈震..γ-谷氨酰甲胺合成酶催化L-茶氨酸合成的分子动力学模拟[J].信阳师范大学学报（自然科学版）,2025,38(3):318-324,7.基金项目
国家自然科学基金项目(22208276) （22208276）
河南省高等学校重点科研项目计划(23A416003 （）
25CY032) （）
信阳师范大学青年基金项目(2023-QN-050) （2023-QN-050）
