物理化学学报 >> 2005, Vol. 21 >> Issue (09): 1042-1045.doi: 10.3866/PKU.WHXB20050919

研究论文 上一篇    下一篇

磷酰化对丙氨酸与溶菌酶相互作用的影响

方美娟; 骆书娜; 王河清; 刘万云; 赵玉芬   

  1. 厦门大学化学化工学院, 福建省化学生物学重点实验室, 厦门 361005; 清华大学, 生命有机磷化学及化学生物学教育部重点实验室, 北京 100084
  • 收稿日期:2005-01-14 修回日期:2005-04-17 发布日期:2005-09-15
  • 通讯作者: 赵玉芬 E-mail:yfzhao@xmu.edu.cn

The Effect of Phosphoryl Oxygen on the Intermolecular Action of Alanine and Lysozyme

FANG Mei-juan; LUO Shu-na; WANG He-qing; LIU Wan-yun; ZHAO Yu-fen   

  1. The Key Laboratory for Chemical Biology of Fujian Province, Department of Chemistry and Engineering, Xiamen University, Xiamen 361005; State Bioorganic Phosphorus Chemistry Laboratory of Education Ministry at Tsinghua University, Department of Life Sciences and Engineering, Tsinghua University, Beijing 100084
  • Received:2005-01-14 Revised:2005-04-17 Published:2005-09-15
  • Contact: ZHAO Yu-fen E-mail:yfzhao@xmu.edu.cn

摘要: 在电喷雾离子阱质谱图中发现丙氨酸不能和溶菌酶形成二聚体, 而磷酰化丙氨酸(DIPP-Ala)能和溶菌酶形成二聚体. 进一步研究发现丙氨酸及其他氨基酸磷酰化后, 自身形成二聚能力大大增强. 在Silicon Graplics图形工作站上采用SYBYL 6.8软件, 利用Tripos力场和分子力学方法研究了DIPP-Ala最低能量构象, 并用分子对接(DOCK)研究了二聚体的形成. 结果说明磷氧双键的存在增强了分子间的相互作用.

关键词: ESI-MS, 分子间氢键, 分子动力学模拟

Abstract: Tt was found that N-diisopropyloxyphosphoryl alanine (DIPP-Ala) could form adduct with hen egg white lysozyme (HEWL) as shown in electrospray ionization mass spectroscopy (ESI-MS), but the non-phosphorylated alanine couldn’t. The capability for formation of DIPP-Ala dimmer was more stronger than that of alanine. It suggested that a specific non-covalent complex was formed in the solution phase and could be transferred to the gas phase via electrospray ionization (ESI). The results implied that phosphorylated alanine possessed relatively stronger affinities for protein and formed non-covalent complexes with protein more easily than alanine. Using Tripos force field, molecular mechanics calculation on DIPP-Ala dimmer showed that such non-covalent adduct formation was due to the inter-molecular hydrogen bond.

Key words: ESI-MS, Intermolecular hydrogen bond, Molecular dynamic simulation