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L-谷氨酸的计算机模拟见解：真空中及其与受体复合物中的结构特征。

In silico insights of L-glutamate: structural features in vacuum and in complex with its receptor.

作者信息

Gonzalez Janneth, Barreto George E

机构信息

Departamento de Nutrición y Bioquímica, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá D.C., Colombia.

出版信息

J Amino Acids. 2013;2013:872058. doi: 10.1155/2013/872058. Epub 2013 Nov 6.

DOI:10.1155/2013/872058
PMID:24307941
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3836412/
Abstract

Structural properties of the glutamate in vacuum and in complex with its receptor were analyzed. The analysis was focused on global properties, attempting to characterize features such as overall flexibility and common trends in the conformation set. The glutamate, as other ligands in complex with the receptor, adopts a spatial conformation that corresponds to one of the possible molecular equilibrium states in physiological conditions. The glutamate forms an extended structure for all cases, but the energy of the glutamate round out form is lower than the extended glutamate form. The results showed the glutamate as a flexible molecule, which can easily adapt to different interacting environments, and it can be considered as an approximation to address why glutamate interacts with a great number of molecules.

摘要

分析了真空中谷氨酸及其与受体复合物的结构特性。该分析聚焦于整体性质，试图表征诸如整体灵活性和构象集中的共同趋势等特征。谷氨酸与受体形成复合物时，如同其他配体一样，采用一种对应于生理条件下可能的分子平衡状态之一的空间构象。在所有情况下，谷氨酸都形成一种伸展结构，但圆形谷氨酸形式的能量低于伸展谷氨酸形式。结果表明谷氨酸是一种灵活的分子，能够轻松适应不同的相互作用环境，并且可以被视为解释谷氨酸为何能与大量分子相互作用的一种近似方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/6d7942d5bd88/JAA2013-872058.006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/024355299007/JAA2013-872058.001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/59bac30e11b9/JAA2013-872058.002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/3ab0619b544d/JAA2013-872058.003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/2c5ac07de834/JAA2013-872058.004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/c47665ff0437/JAA2013-872058.005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/6d7942d5bd88/JAA2013-872058.006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/024355299007/JAA2013-872058.001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/59bac30e11b9/JAA2013-872058.002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/3ab0619b544d/JAA2013-872058.003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/2c5ac07de834/JAA2013-872058.004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/c47665ff0437/JAA2013-872058.005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d4c/3836412/6d7942d5bd88/JAA2013-872058.006.jpg

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