Role of electrostatics in antibody-antigen association: anti-hen egg lysozyme/lysozyme complex (HyHEL-5/HEL).
Role of electrostatics in antibody-antigen association: anti-hen egg lysozyme/lysozyme complex (HyHEL-5/HEL).
复制标题
静电在抗体-抗原结合中的作用：抗鸡蛋溶菌酶/溶菌酶复合物（HyHEL-5/HEL）。
DOI：
10.1080/07391102.1994.10508750
复制
发表时间：
1994
影响因子：
4.4
通讯作者：
Subramaniam,S
中科院分区：
文献类型：
--
作者：
Slagle,SP;Kozack,RE;Subramaniam,S
本文应用多重网格牛顿法求解非线性Poisson- Boltzmann方程，研究了单克隆抗体HyHEL-5和溶菌酶组成的体系中的分子识别问题。计算了野生型复合物和两种蛋白质之间静电相互作用发生改变的各种突变体的静电结合自由能。中和或逆转天然系统中涉及盐连接的任何残基的电荷的突变总是产生降低的结合亲和力。复合物的稳定性可以通过形成新的盐桥来增强，所述盐桥通过将溶菌酶的天冬酰胺残基突变为带负电荷的天冬氨酸而获得。还检查了离子强度效应，发现在某些情况下具有显着性。
A recently developed multigrid-based Newton method for solving the nonlinear Poisson- Boltzmann equation is applied in an investigation of molecular recognition in the system consisting of the monoclonal antibody HyHEL-5 and hen egg lysozyme. The electrostatic free energy of binding is calculated for the wild-type complex and various mutants in which electrostatic interactions between the two proteins are altered. Mutations which neutralize or reverse the charge of any of the residues involved in salt-links in the native system always yield decreased binding affinities. The stability of the complex can be enhanced through the formation of a new salt-bridge obtained by mutating an asparagine residue of the lysozyme to the negatively-charged aspartate. Ionic strength effects are also examined and found to be significant in some cases.