Functional site prediction selects correct protein models.

ABSTRACT:

Background

The prediction of protein structure can be facilitated by the use of constraints based on a knowledge of functional sites. Without this information it is still possible to predict which residues are likely to be part of a functional site and this information can be used to select model structures from a variety of alternatives that would correspond to a functional protein.

Results

Using a large collection of protein-like decoy models, a score was devised that selected those with predicted functional site residues that formed a cluster. When tested on a variety of small alpha/beta/alpha type proteins, including enzymes and non-enzymes, those that corresponded to the native fold were ranked highly. This performance held also for a selection of larger alpha/beta/alph

SUBMITTER: Chelliah V 

PROVIDER: S-EPMC2259414 | biostudies-literature | 2008

REPOSITORIES: biostudies-literature