Design of symmetric TIM barrel proteins from first principles.

ABSTRACT:

Background

Computational protein design is a rapidly maturing field within structural biology, with the goal of designing proteins with custom structures and functions. Such proteins could find widespread medical and industrial applications. Here, we have adapted algorithms from the Rosetta software suite to design much larger proteins, based on ideal geometric and topological criteria. Furthermore, we have developed techniques to incorporate symmetry into designed structures. For our first design attempt, we targeted the (α/β)8 TIM barrel scaffold. We gained novel insights into TIM barrel folding mechanisms from studying natural TIM barrel structures, and from analyzing previous TIM barrel design attempts.

Methods

Computational protein design and analysis was performed usin

SUBMITTER: Nagarajan D 

PROVIDER: S-EPMC4531894 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature