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目的应用生物信息学软件预测结核分枝杆菌AccD5基因编码蛋白的结构和功能。方法从NCBI数据库获取AccD5基本的基因信息;应用ProtParam软件预测AccD5蛋白的理化性质;利用SignaIP 4.1和TMHMM分析其信号肽和跨膜区;利用在线分析Expasy工具分析蛋白二级结构,建立蛋白三级结构模型;利用BepiPred 1.0Server和SYFPEITHI分析蛋白的B细胞及T细胞抗原表位。结果AccD5蛋白共548个氨基酸,分子式为C2621H4153N727O810S17,分子质量单位(Mr)为59.354 2×103,理论等电点为5.19,脂溶性系数为91.15,不稳定性指数为31.21,亲水性平均系数为-0.16,预测该蛋白为稳定性亲水性蛋白;二级结构中α-螺旋、β-转角、β-折叠、无规则卷曲分别占37.23%、10.58%、22.81%和29.38%,预测的B细胞、CTL细胞抗原表位分别为14个和25个。结论生物信息学分析AccD5为稳定蛋白,含有潜在的B、T细胞抗原表位,为研发治疗结核新药提供了潜在靶标。
Objective To predict the structure and function of AccD5 gene of Mycobacterium tuberculosis using bioinformatics software. Methods The AccD5 gene information was obtained from NCBI database. The physical and chemical properties of AccD5 protein were predicted by ProtParam software. The signal peptide and transmembrane region were analyzed by SignaIP 4.1 and TMHMM. The secondary structure of protein was analyzed by Expasy tool. Structural model; Protein B cell and T cell epitopes were analyzed using BepiPred 1.0Server and SYFPEITHI. Results AccD5 protein was 548 amino acids in molecular formula C2621H4153N727O810S17, the molecular mass unit (Mr) was 59.354 2 × 103, the theoretical isoelectric point was 5.19, the lipid solubility coefficient was 91.15 and the instability index was 31.21. The average hydrophilicity coefficient -0.16. The secondary structure was predicted to be 37.23%, 10.58%, 22.81% and 29.38%, respectively. The predicted B The cell and CTL cell epitopes were 14 and 25, respectively. Conclusions Bioinformatics analysis of AccD5 as a stable protein containing potential B and T cell epitopes provides a potential target for the development of new drugs for the treatment of tuberculosis.