| 胰岛素B链螺旋片段构象能量的研究 |
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| 引用本文： | 牛立文,梁栋材,张福贵,朱敏慧. 胰岛素B链螺旋片段构象能量的研究[J]. 物理化学学报, 1987, 3(6): 561-564. DOI: 10.3866/PKU.WHXB19870601 |
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| 作者姓名： | 牛立文 梁栋材 张福贵 朱敏慧 |
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| 作者单位： | Department of Biology; USTCm; Hefei ;Institute of Electronics; Academia Sinica |
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| 基金项目： | 中国科学院R850434科学研究基金 |
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| 摘 要： | 本文作为胰岛素及其化学修饰物分子构象能量系列研究工作的组成部分,以2Zn-、(D-Ala)~(B0)-和(L-Leu)~(B1)-猪胰岛素晶体结构为依据,报告分子B9-B19螺旋(化学序列为S·H·L·V·G·A·L·Y·L·V·C)六种X射线晶体学构象能量的研究结果。构象二面角的定义和计算遵循IUPAC-IUB规则。构象总能量(包括静电能EES,非键能ENB和扭角势能ETOR三项)的计算使用程序ECEPP/2,键长和键角取标准值(由
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| 收稿时间： | 1987-05-18 |
| 修稿时间： | 1987-08-03 |
STUDIES ON THE CONFORMATIONAL ENERGIES OF INSULIN B-CHAIN HELIX |
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| Niu Liwen,Liang Dongcai,Zhang Fugui,Zhu Minhui. STUDIES ON THE CONFORMATIONAL ENERGIES OF INSULIN B-CHAIN HELIX[J]. Acta Physico-Chimica Sinica, 1987, 3(6): 561-564. DOI: 10.3866/PKU.WHXB19870601 |
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| Authors: | Niu Liwen Liang Dongcai Zhang Fugui Zhu Minhui |
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| Affiliation: | Department of Biology; USTCm; Hefei ;Institute of Electronics; Academia Sinica |
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| Abstract: | In this paper the energies of six X-ray crystallographic conformations of insulin B-chain helix have been analysed preliminarily and the conversion processes appeared between those conformations have been simulated on the VAX/VMS 780 computer, which showed that the conformational energies of molecule 1 B-chain helix were less than that of molecule 2 in those three crystals of insulin and the sharp changes of the energies in the conformational conversion processes were mainly the contributions of the interactions between a few atoms. Our studies indicated semi-quantitatively that the mode of sequential conformational changes one amino acid residue by one could not be present in the processes mentioned above. Our studies also indicated that the program ECEPP/2 was not suitable to the peptide model with more amino acid residues for the purposes of adding the hydrogen atoms to the model theoretically. |
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