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一种用于同轴螺旋结构的静电空间共振模型及其在丝状噬菌体中的应用。

An electrostatic spatial resonance model for coaxial helical structures with applications to the filamentous bacteriophages.

作者信息

Marzec C J, Day L A

机构信息

Public Health Research Institute, New York, New York 10016.

出版信息

Biophys J. 1994 Dec;67(6):2205-22. doi: 10.1016/S0006-3495(94)80706-4.

Abstract

A model is presented that treats the symmetry matching problem in structures made of two interacting coaxial helices of point charges. The charges are sources of a potential field that mediates a non-specific attractive interaction between the helices. The problem is represented in Fourier space, which affords the most generality. It is found that coaxial helices with optimally mated symmetries can lock into spatial resonance configurations that maximize their interaction. The resonances are represented as vectors in a discrete three-dimensional space. Two algebraic relations are given for the four symmetry parameters of two helices in resonance. One-start inner helices interacting with coaxial one-start or NR-start outer helices are considered. Applications are made to the filamentous bacteriophages Ff, Pf1, Xf, and Pf3. The interaction given by the linearized Poisson-Boltzmann equation is calculated in this formalism to allow comparison of the electrostatic free energy of interaction of different resonance structures. Experimental nucleotide/subunit ratios are accounted for, and models for the DNA-protein interfaces are presented, with particular emphasis on Pf1.

摘要

本文提出了一个模型,用于处理由两个相互作用的同轴点电荷螺旋构成的结构中的对称性匹配问题。这些电荷是一个势场的源,该势场介导了螺旋之间的非特异性吸引相互作用。此问题在傅里叶空间中表示,这样具有最大的通用性。研究发现,具有最优匹配对称性的同轴螺旋可以锁定到空间共振构型,从而使它们之间的相互作用最大化。这些共振在一个离散的三维空间中表示为向量。给出了处于共振状态的两个螺旋的四个对称参数的两个代数关系。考虑了单起始内螺旋与同轴单起始或非单起始外螺旋的相互作用。将其应用于丝状噬菌体Ff、Pf1、Xf和Pf3。用这种形式计算了由线性化泊松 - 玻尔兹曼方程给出的相互作用,以便比较不同共振结构的静电相互作用自由能。考虑了实验核苷酸/亚基比率,并给出了DNA - 蛋白质界面的模型,特别强调了Pf1。

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A theory of the symmetries of filamentous bacteriophages.丝状噬菌体对称性理论
Biophys J. 1988 Mar;53(3):425-40. doi: 10.1016/S0006-3495(88)83119-9.

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Dimensions of Xf virus from its rotational and translational diffusion coefficients.
Biochemistry. 1980 Apr 1;19(7):1373-6. doi: 10.1021/bi00548a016.
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The symmetries of filamentous phage particles.
J Mol Biol. 1981 Jan 25;145(3):611-7. doi: 10.1016/0022-2836(81)90549-0.
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Structure of the filamentous bacteriophage, Pf3, by X-ray fiber diffraction.
J Mol Biol. 1982 Dec 25;162(4):877-81. doi: 10.1016/0022-2836(82)90552-6.
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