Kalia A, Royyuru A K, Kothekar V
FEBS Lett. 1986 Jan 20;195(1-2):48-52. doi: 10.1016/0014-5793(86)80127-2.
Computer model building with a dynamic energy minimization procedure is used here to study the interaction of a pentapeptide sequence from the lac repressor headpiece (lac 53-57) with different base sequences of DNA. The peptide fragment for this purpose was considered in the classical beta-antiparallel as well as the beta-associated conformation. The model of its interaction with DNA was optimised for various binding positions and base sequences. Partitioning of energy is analysed for different dielectric constant values and the main contributing factors to sequence-specific binding are discussed.
本文采用具有动态能量最小化程序的计算机模型构建方法，研究来自乳糖阻遏蛋白头部（lac 53 - 57）的五肽序列与不同DNA碱基序列之间的相互作用。为此，该肽片段被考虑采用经典的β-反平行构象以及β-关联构象。针对各种结合位置和碱基序列，优化了其与DNA相互作用的模型。分析了不同介电常数下的能量分配情况，并讨论了序列特异性结合的主要影响因素。
