Evidence for ligandable sites in structured RNA throughout the Protein Data Bank.

ABSTRACT: RNA has attracted considerable attention as a target for small molecules. However, methods to identify, study, and characterize suitable RNA targets have lagged behind strategies for protein targets. One approach that has received considerable attention for protein targets has been to utilize computational analysis to investigate ligandable "pockets" on proteins that are amenable to small molecule binding. These studies have shown that selected physical properties of pockets are important parameters that govern the ability of a structure to bind to small molecules. This work describes a similar analysis to study pockets on all RNAs in the Protein Data Bank (PDB). Using parameters such as buriedness, hydrophobicity, volume, and other properties, the set of all RNAs is analyzed and compared

SUBMITTER: Hewitt WM 

PROVIDER: S-EPMC8283815 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature