生物分子的宇称违反能- V:蛋白质金属中心。

IF 1.9 4区物理与天体物理 Q2 BIOLOGY Origins of Life and Evolution of Biospheres Pub Date : 2020-12-01 Epub Date: 2020-06-20 DOI:10.1007/s11084-020-09598-6

Francesco Faglioni, Bianca Fracassini, Luca Perrone

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引用次数: 0

摘要

在天然存在的蛋白质和酶中发现的手性金属中心镜像之间的奇偶违反差异是在Dirac-Hartree-Fock水平上计算的，用于平衡态和过渡态构型。这些体系是根据原子质量和配位几何形状产生高奇偶违和能的可能性而选择的，它们分别是从I型蓝铜蛋白活性位点、Zn和Cd碳酸酐酶、Ni乙酰辅酶a合酶和Mo基co -脱氢酶中提取的。我们的值提供了基于静态效应的生物系统中可能的奇偶违反效应的近似上限。

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Parity Violation Energy of Biomolecules - V: Protein Metal Centers.

The parity-violation difference between mirror images of chiral metal centers found in naturally occurring proteins and enzymes is computed at the Dirac-Hartree-Fock level, for both equilibrium and transition state configurations. The systems, selected on the likelihood of yielding high parity violation energies based on atomic mass and coordination geometry, are extracted from: type I Blue Copper Protein active site, Zn and Cd Carbon Anhydrase, Ni Acetyl-Coenzyme-A Synthase, and Mo based CO-Dehydrogenase. Our values provide an approximate upper limit to possible parity-violation effects in biological systems based on static effects.

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来源期刊

Origins of Life and Evolution of Biospheres 生物-生物学

CiteScore

3.20

自引率

15.00%

发文量

审稿时长

>12 weeks

期刊介绍： The subject of the origin and early evolution of life is an inseparable part of the general discipline of Astrobiology. The journal Origins of Life and Evolution of Biospheres places special importance on the interconnection as well as the interdisciplinary nature of these fields, as is reflected in its subject coverage. While any scientific study which contributes to our understanding of the origins, evolution and distribution of life in the Universe is suitable for inclusion in the journal, some examples of important areas of interest are: prebiotic chemistry and the nature of Earth''s early environment, self-replicating and self-organizing systems, the theory of the RNA world and of other possible precursor systems, and the problem of the origin of the genetic code. Early evolution of life - as revealed by such techniques as the elucidation of biochemical pathways, molecular phylogeny, the study of Precambrian sediments and fossils and of major innovations in microbial evolution - forms a second focus. As a larger and more general context for these areas, Astrobiology refers to the origin and evolution of life in a cosmic setting, and includes interstellar chemistry, planetary atmospheres and habitable zones, the organic chemistry of comets, meteorites, asteroids and other small bodies, biological adaptation to extreme environments, life detection and related areas. Experimental papers, theoretical articles and authorative literature reviews are all appropriate forms for submission to the journal. In the coming years, Astrobiology will play an even greater role in defining the journal''s coverage and keeping Origins of Life and Evolution of Biospheres well-placed in this growing interdisciplinary field.