该研究应用生物信息学方法对枯草芽孢杆菌脂肪酶LipA进行分析，旨在为LipA的后续研究奠定一定的理论基础。采用一系列在线网站或软件对LipA的一级结构、亲疏水性、基本特性、二级结构、特殊卷曲螺旋、模体以及富含脯氨酸（P）、谷氨酸（E）、丝氨酸（S）和苏氨酸（T）的PEST序列等进行预测和分析，并对三级结构进行同源建模，对其表面电位、可及性分布以及Ramachandran图等进行分析。枯草芽孢杆菌脂肪酶LipA是一种由212个氨基酸组成的稳定的脂溶性蛋白质，其亲、疏水性最强的区域分别为Lys75~Asn81和Val9~Leu17；不存在稳定的二聚体、三聚体卷曲螺旋和非PEST序列；有3种可能参与不同的生化反应的模体；有5段α-螺旋、6段β-折叠的α/β类蛋白；整体呈弱正电势；LipA的可及性和Ramachandran图表明建模得到的三维结构是合理、可靠的。该研究为后续对枯草芽孢杆菌脂肪酶LipA的分子设计和改造提供了一定的理论基础。

In this study, bioinformatics methods were applied to analyze the Bacillus subtilis lipase LipA, aiming to lay some theoretical foundation for the subsequent study of LipA. The primary structure, hydrophobicity, basic properties, secondary structure, special crimp helix, motif and PEST sequences rich in proline (p), glutamic acid (E), serine (s) and threonine (T) of LipA were predicted and analyzed by using a series of online websites or software, the homology modeling of the tertiary structure was carried out, and the surface potential, the accessibility distribution and the Ramachandran diagram were analyzed. Bacillus subtilis lipase LipA is a stable liposoluble protein composed of 212 amino acids. The regions with the strongest hydrophilicity and hydrophobicity were predicted to be Lys75~Asn81 and Val9~Leu17, and there is no stable dimer, trimer curling helix and non-PEST sequences. LipA was found to have three motifs that may participate in different biochemical reactions, as well as α/β proteins with five segments α-helix, six-segment β-sheets; LipA is predicted to be weak positive potential; The modeled three-dimensional structure is shown by accessibility and Ramachandran diagram to be reasonable and reliable. The subsequent molecular design and modification of Bacillus subtilis lipase LipA were provided with some theoretical basis in this study.

广东省基础与应用基础研究基金佛山市联合基金（粤佛联合基金）青年基金项目（2019A1515110621；2019A1515111049）；广东普通高校青年创新人才项目（自然科学类）（2017KQNCX217）；佛山科学技术学院高层次人才启动项目（GG07016）；广东省科技创新战略专项资金项目（pdjh2020b0627；pdjh2022b0550）；佛山科学技术学院实验室开放创新基金（2022 No.005）