Event Title

Comparison of Computational Methods to Determine the Crystal Structure of Elm1p

Presenter Information

Amir Alwali, Susquehanna University

Start Date

25-4-2017 5:00 PM

End Date

25-4-2017 6:00 PM

Description

Elm1p, a serine/threonine protein kinase, is required for coordination of cell growth and nuclear division in budding yeast. The primary sequence of Elm1p is only 30 to 40% identical to sequences of kinases with solved crystal structures. Thus, determining the crystal structure of Elm1p will expand current knowledge of kinase structures as well as help elucidate how this enzyme functions to coordinate cell growth and nuclear division. Computational methods were used to accomplish this goal. Many tools have been developed to predict three dimensional protein structure based on the primary sequence such as ab initio modeling (Robetta), homology modeling (Phyre2 original), and threading (RaptorX). The primary sequence of Elm1p was submitted to several servers using these methods and the resulting predicted structures were compared. The results indicate that homology modeling and threading produced the most complete or fully folded predicted crystal structure.

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Apr 25th, 5:00 PM Apr 25th, 6:00 PM

Comparison of Computational Methods to Determine the Crystal Structure of Elm1p

Elm1p, a serine/threonine protein kinase, is required for coordination of cell growth and nuclear division in budding yeast. The primary sequence of Elm1p is only 30 to 40% identical to sequences of kinases with solved crystal structures. Thus, determining the crystal structure of Elm1p will expand current knowledge of kinase structures as well as help elucidate how this enzyme functions to coordinate cell growth and nuclear division. Computational methods were used to accomplish this goal. Many tools have been developed to predict three dimensional protein structure based on the primary sequence such as ab initio modeling (Robetta), homology modeling (Phyre2 original), and threading (RaptorX). The primary sequence of Elm1p was submitted to several servers using these methods and the resulting predicted structures were compared. The results indicate that homology modeling and threading produced the most complete or fully folded predicted crystal structure.