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[用于计算双链多核苷酸中调节蛋白和其他晶格配体结合的精确关系]

[Precise relationships for calculating the binding of regulatory proteins and other lattice ligands in double-stranded polynucleotides].

作者信息

Gurskiĭ G V, Zasedatelev A S

出版信息

Biofizika. 1978 Sep-Oct;23(5):932-46.

PMID:698271
Abstract

The binding of long multisite ligands to double-stranded nucleic acids is considered. The ligand is taken as a lattice of AT- and GC-specific reaction centres the sequence of which is complementary to the base pair sequence in the specific ligand interaction site on DNA. Exact equations are derived for the two cases: that when a ligand binds in a fixed orientation relative to the DNA and that when it can be attached to DNA in the two alternative orientations related by two-fold rotation. Included in the formulation are two alternative orientations related by two-fold rotation. Included in the formulation are the ligand size effects as well as cooperative effects for which the interactions between the nearest neighbour adsorbed molecules are responsible. In particular, if cooperative interactions are allowed only between the adjacent ligand molecules related by two-fold rotation symmetry, the ligands would tend to associate into symmetrical "dimers" upon binding to DNA. This model enables one to explain the recognition of specific base sequences which are related by two-fold rotation symmetry and are complementary to the sequence of ligand reaction centres. Numerical calculations are carried out for several specific cases and for various values of parameters involved in the theoretical model.

摘要

考虑了长链多位点配体与双链核酸的结合。将配体视为由AT特异性和GC特异性反应中心组成的晶格,其序列与DNA上特定配体相互作用位点的碱基对序列互补。推导了两种情况下的精确方程:一种是配体相对于DNA以固定方向结合,另一种是配体可以通过180°旋转相关的两种交替方向附着于DNA。公式中包含通过180°旋转相关的两种交替方向。公式中还包括配体大小效应以及由最近邻吸附分子之间的相互作用引起的协同效应。特别是,如果协同相互作用仅允许在通过180°旋转对称相关的相邻配体分子之间存在,那么配体在与DNA结合时会倾向于缔合成对称的“二聚体”。该模型能够解释通过180°旋转对称相关且与配体反应中心序列互补的特定碱基序列的识别。针对几种特定情况以及理论模型中涉及的各种参数值进行了数值计算。

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