Homology Search Followed by Molecular Modeling (9/25/2014)


09/24/2014

Wed, 09/24/2014 at 12:49 PM

Customer: We have been studying a bacterial protein. It is pore-forming toxin, which is activated by post-translation modification, i.e. acetylation of the internal lysine by acyltransferase (CyaC). The crystal structures of these proteins are not available, we would like to gain insight via homlogy modeling with and without acyl group. furthermore we would like to dock CyaC homlogy model (with and without acyl group) on the protein. and get the their interaction data analysis.

Thu, 09/25/2014 at 4:18 PM

AccuraScience LB: The work you describe would consist of three components: (1) Homology search: because the structure of the protein of interest is not available, we have to find one with closest homology with the target protein and with known structure. (2) Homology modeling, which models the differences between the target protein and the protein with known structure identified in (1). And (3) docking modeling: you might be aware that docking modeling for protein-protein interactions is more challenging than the docking of a small molecular with a protein.

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Note: LB stands for Lead Bioinformatician. An AccuraScience LB is a senior bioinformatics expert and leader of an AccuraScience data analysis team.

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