An evolution-based approach to De Novo protein design and case study on Mycobacterium tuberculosis.

ABSTRACT: Computational protein design is a reverse procedure of protein folding and structure prediction, where constructing structures from evolutionarily related proteins has been demonstrated to be the most reliable method for protein 3-dimensional structure prediction. Following this spirit, we developed a novel method to design new protein sequences based on evolutionarily related protein families. For a given target structure, a set of proteins having similar fold are identified from the PDB library by structural alignments. A structural profile is then constructed from the protein templates and used to guide the conformational search of amino acid sequence space, where physicochemical packing is accommodated by single-sequence based solvation, torsion angle, and secondary structure predictio

SUBMITTER: Mitra P 

PROVIDER: S-EPMC3812052 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature