食品工业科技2025，Vol.46Issue(13)：184-195,12.DOI:10.13386/j.issn1002-0306.2024080156
花园伯克霍尔德氏菌来源酯合成酶生物信息学分析及合成脂肪酸乙酯的分子机制
Bioinformatics Analysis of Ester Synthases from Burkholderia anthina and the Molecular Mechanism for Synthesizing Fatty Acid Ethyl Esters
摘要
Abstract
Objective:The strain BJQ0011 isolated from Jiuqu can catalyze ester synthesis under aqueous phase.The work aimed to investigate its mechanism for fatty acid ethyl ester synthesis under aqueous phase.Methods:The whole genome of BJQ0011 was sequenced,and bioinformatic analysis was performed to locate the potential ester synthase.Thereafter,gene cloning and expression were applied to identify the ester synthase under aqueous phase.Molecular docking was used to analyze the molecular mechanism of the enzyme that catalyzed the synthesis of fatty acid ethyl esters.Results:BJQ0011 was identified as Burkholderia anthina,and the enzyme encoded by the gene JFN94RS18195 could catalyze the synthesis of ethyl butyrate,ethyl valerate,ethyl hexanoate,ethyl octanoate and ethyl decanoate under aqueous phase,with the highest efficiency in the synthesis of ethyl octanoate from octanoic acid.The potential catalytic triad of the enzyme was Ser111-Asp241-His274,and Ala22 and Met112 might be involved in the formation of oxygen anion holes.Combined with the results of molecular docking with multiple ligands,the molecular catalytic mechanism for synthesizing fatty acid ethyl esters by the enzyme JFN94_RS18195 was proposed.Conclusion:These results provided the microbiological and enzymatic basis for the synthesis of important flavor fatty acid ethyl esters in baijiu.关键词
酯合成/脂肪酸乙酯/花园伯克霍尔德氏菌/酶/浓香型白酒Key words
ester synthesis/fatty acid ethyl ester/Burkholderia anthina/enzyme/strong-flavor baijiu分类
轻工纺织引用本文复制引用
赖鲸慧,杨建平,代梦琦,曾珊,赵蕾,杨冰艳,黄明泉,徐友强..花园伯克霍尔德氏菌来源酯合成酶生物信息学分析及合成脂肪酸乙酯的分子机制[J].食品工业科技,2025,46(13):184-195,12.基金项目
"十四五"国家重点研发计划(2022YFD2101401) （2022YFD2101401）
四川省固态酿造技术创新中心项目(GNLM2024013) （GNLM2024013）
国家自然科学基金(32072165). （32072165）
