Enhanced Protein Steering: Cooperative Electrostatic and van der Waals Forces in Antigen-Antibody Complexes

被引:21
作者
Persson, Bjorn A. [1 ]
Jonsson, Bo [1 ]
Lund, Mikael [1 ]
机构
[1] Lund Univ, Dept Theoret Chem, SE-22100 Lund, Sweden
基金
瑞典研究理事会;
关键词
DIPOLAR PROTEINS; PH-DEPENDENCE; ASSOCIATION; SIMULATIONS; DYNAMICS; BINDING; ACETYLCHOLINESTERASE; MOLECULES; LYSOZYME; ENERGY;
D O I
10.1021/jp904541g
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We study the association of the cationic protein lysozyme with several almost neutral protein fragments but with highly uneven charge distributions. Using mesoscopic protein models, we show how electrostatic interactions can align or steer protein complexes into specific constellations dictated by the specific charge distributions of the interacting biomolecules. Including van der Waals forces significantly amplifies the electrostatically induced orientational steering at physiological solution conditions, demonstrating that different intermolecular interactions can work in a cooperative way in order to optimize specific biochemical mechanisms. Individually, the electrostatic and van der Waals interactions lead only to a relatively weak intermolecular alignment, but when combined, the effect increases significantly.
引用
收藏
页码:10459 / 10464
页数:6
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