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Contribución intrínseca del 2'-hidroxilo a la heterogeneidad conformacional del ARN

Elizabeth J Denning¹, Alexander D MacKerell

¹Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, USA.

Journal of the American Chemical Society

|January 17, 2012

Resumen

El grupo 2'-hidroxilo del ARN actúa como un interruptor molecular, controlando la estructura del ARN. Su orientación dicta si el ARN adopta la forma A canónica o explora diversas conformaciones no canónicas.

Área de la Ciencia:

La bioquímica es la bioquímica.
Biología Estructural Biología estructural.
Química computacional es la química computacional.

Sus antecedentes:

El ARN de doble hebra canónico existe principalmente en la conformación de la forma A.
Las moléculas de ARN exhiben una amplia gama de estructuras no canónicas y terciarias más allá de la forma A secundaria.

Objetivo del estudio:

Para aclarar el papel del grupo 2-hidroxilo en el control de las propiedades conformacionales del ARN.
Investigar cómo el grupo 2-hidroxilo influye en la flexibilidad de la columna vertebral del fosfodiéster y dicta la estructura del ARN.

Principales métodos:

Se emplearon cálculos mecánicos cuánticos para analizar la flexibilidad intrínseca de la columna vertebral del ARN fosfodiéster.
Se utilizaron datos de encuestas cristalográficas para examinar las influencias ambientales en la orientación 2-hidroxilo en diferentes estructuras de ARN.

Principales resultados:

La orientación del grupo 2-hidroxilo tiene un impacto significativo en la flexibilidad de la columna vertebral.
Una orientación de base favorece la forma A en ARN dúplex, mientras que una orientación O3 ' facilita el muestreo de estructuras terciarias no canónicas.
Los datos cristalográficos muestran que el 2 -hidroxilo adopta la orientación O3 ' con más frecuencia en estructuras de ARN no canónicas.

Conclusiones:

El grupo 2-hidroxilo funciona como un interruptor conformacional para el ARN.
Restringe las estructuras secundarias a la forma A, mientras que permite la exploración de diversas conformaciones terciarias.

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