Indo-US Joint Networked Center Funded by Indo-US Science & Technology Forum

Principal InvestigatorsCo-Investigators
Debnath Pal David Eisenberg Pralay Mitra Thomas Terwilliger
Indian Institute of Science University of California Indian Institute of Technology Los Alamos National Laboratory
Bangalore, India Los Angeles, USA Kharagpur, India New Mexico, USA

The knowledge of protein complex (quaternary) structure using X-ray crystallographic methods offers an atomistic glimpse into the basis of this interaction. Therefore, structural genomics of protein complexes has been one of the frontier areas in structural biology. However, structure solution of protein complexes must precede identification of natural/cognate binding partners in cell to allow attempt to protein co-crystallization and structure determination. The objective of this center is to enhance methodology of identification of natural/cognate binding partners of proteins in a genomics scale. An already established ProLinks database of genomic-context derived functional linkage information will be used to get an initial set of physically interacting candidates at 95% expected coverage. These candidates will thereafter be screened and ranked using interaction forcefield and expectation maximization method. The sequences will be modeled to assess and interpret the basis of the interaction as rigid bodies, and subsequently subjected to molecular dynamics simulations to confirm the viability of the protein interaction. The candidates will be experimentally tested for protein-protein interaction screening and if successful, followed up with crystallization and structure determination. The work is expected to give a significant boost to the structural genomics of protein complexes. The center is expected to bring forth new ideas and lay groundwork for long term future collaborations.

© Copyright Reserved (2015) Debnath Pal