人类N-乙酰化酶2蛋白质分子的计算机三维模拟

Three-dimensional simulation of the structures of human N-acetyltransferase 2 protein molecule

目的:对人类N-乙酰化酶2(NAT2)蛋白质分子进行计算机三维模拟。方法:将下载的蛋白质序列结合计算机三维模拟技术对NAT2进行三维模拟,并对其进行物理、化学、生物学等特征分析,初步判断蛋白质分子的部分化学和物理学性质,对其某些功能作出预测。结果:利用蛋白质序列分析软件包ANTHEPORT5.0模拟出NAT2可能的结构;预测到NAT2的蛋白等电点(pH i)=5.495,相对分子质量=33 544以及NAT2的滴定曲线和物理化学特征性曲线;对NAT2第282个氨基酸位点附近的片段绘制出HelicalW heel图。结论:能利用计算机模拟出NAT2的可能结构,并可作出一定的分析和预测,此种方法可用于NAT2基因多态性的分析。

Objective：To simulate human N-acetyhransferase 2 protein 3D model by computer technology. Methods： 3D model of human N-acetyhransferase 2 protein was simulated with protein list and computer technology, the physical, chemical, biological characteristics and the functions were analyzed. Results ： The possible structure of NAT2 was simulated using ANTHEPORTS. 0, a software for determining the sequence of protein, forecasting the phi and molecular weight of NAT2 were 5. 495 and 33 544 respectively. The titration curve and physics-chemistry characteristic curve of NAT2 were also obtained. A Helical Wheel chart was plotted, aiming at the fragment of NAT2 around amino acid 282 nd. Conclusion ：The possible structure of NAT2 was simulated using computer, analysis and forecast was also carried out, the method was feasible to genetic analysis of NAT2.