TTIC
Toyota Technological Institute at Chicago  

Sean Mooney

Bioinformatics Seminar - Indiana University School of Medicine

Tools for Annotation of Sequence and Structurally Conserved Environments in Proteins

June 5, 2006 2:00pm

Abstract:

As a relatively new discipline, bioinformatics continues to grow and mature. Over the past two years my laboratory has focused on the important bioinformatic problem of building computational models of protein function from experimentally determined three dimensional structure. To this end, we have developed a website, http://www.sblest.org, and a suite of web services, that enables users to submit protein structures and identify the sequence and structurally conserved environments in that query. To do this, we integrated several sequence and structure based analysis tools, such as S-BLEST, PSI-BLAST, and HMMer to identify sites that are associated with SCOP families, GO terms and EC terms. In addition to the website, we have built a suite of web services for accessing this resource, and have extended UCSF Chimera and Delano Scientific PyMOL to use this. Overall, this method enables researchers to identify structurally conserved sites. We have also begun to evaluate the attributes derived from this method by using them as input to classify catalytic residues in proteins. We have then ranked these features based on their ability to classify. This approach has enabled us to evaluate our method and suggests that methods such as this have a bright future for finding and characterizing functional elements.

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