RPocket: an intuitive database of RNA pocket topology information with RNA-ligand data resources.

ABSTRACT:

Background

RNA regulates a variety of biological functions by interacting with other molecules. The ligand often binds in the RNA pocket to trigger structural changes or functions. Thus, it is essential to explore and visualize the RNA pocket to elucidate the structural and recognition mechanism for the RNA-ligand complex formation.

Results

In this work, we developed one user-friendly bioinformatics tool, RPocket. This database provides geometrical size, centroid, shape, secondary structure element for RNA pocket, RNA-ligand interaction information, and functional sites. We extracted 240 RNA pockets from 94 non-redundant RNA-ligand complex structures. We developed RPDescriptor to calculate the pocket geometrical property quantitatively. The geometrical information was then s

SUBMITTER: Zhou T 

PROVIDER: S-EPMC8424408 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature