论π-π相互作用在藻蓝蛋白结构稳定性中的重要性

IF 1 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI:10.2298/jsc221201008b

Luka M. Breberina, M. Nikolic, S. Stojanovic, M. Zlatovic

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引用次数: 0

摘要

?-?的影响分析了藻蓝蛋白之间的相互作用及其环境偏好。结果表明，藻蓝蛋白中大部分芳香残基与?-?交互。Phe和Tyr残基被发现与?-?比Trp和His更频繁地相互作用。类似的，Phe-Phe和Tyr-Tyr ?-?交互对的出现频率最高。除了?-?相互作用时，芳香族残基也在藻蓝蛋白中形成?-网络。- - - - - - ?在5.5 ~ 7°对距离范围内，相互作用最有利，并明显倾向于t形环排列。通过从头计算，我们观察到大多数?-?相互作用的能量从0到-10 kJ mol-1。这些蛋白的稳定中心表明?-?相互作用对于定位一个或多个这样的中心很重要。- - - - - - ?相互作用残基是进化保守的。本研究结果将有助于进一步了解藻蓝蛋白的结构稳定性和蛋白工程的发展。

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On the importance of π-π interactions in the structural stability of phycocyanins

The influences of ?-? interactions in phycocyanin proteins and their environmental preferences were analyzed. The observations indicate that the majority of the aromatic residues in phycocyanin proteins are involved in ?-? interactions. Phe and Tyr residues were found to be involved in ?-? interactions much more frequently than Trp or His. Similarly, the Phe-Phe and Tyr-Tyr ?-? interacting pair had the highest frequency of occurrence. In addition to ?-? interactions, the aromatic residues also form ?-networks in phycocyanins. The ?-? interactions are most favorable at the pair distance range of 5.5-7 ?, with a clear preference for T-shaped ring arrangements. Using ab initio calculations, we observed that most of the ?-? interactions have energy from 0 to -10 kJ mol-1. Stabilization centers for these proteins showed that all residues found in ?-? interactions are important in locating one or more such centers. ?-? interacting residues are evolutionary conserved. The results obtained from this study will be beneficial in further understanding the structural stability and eventual development of protein engineering of phycocyanins.

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来源期刊

Journal of The Serbian Chemical Society 化学-化学综合

CiteScore

1.80

自引率

0.00%

发文量

审稿时长

1 months

期刊介绍： The Journal of the Serbian Chemical Society -JSCS (formerly Glasnik Hemijskog društva Beograd) publishes articles original papers that have not been published previously, from the fields of fundamental and applied chemistry: Theoretical Chemistry, Organic Chemistry, Biochemistry and Biotechnology, Food Chemistry, Technology and Engineering, Inorganic Chemistry, Polymers, Analytical Chemistry, Physical Chemistry, Spectroscopy, Electrochemistry, Thermodynamics, Chemical Engineering, Textile Engineering, Materials, Ceramics, Metallurgy, Geochemistry, Environmental Chemistry, History of and Education in Chemistry.