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Combination of SAXS and molecular modeling in structure-function characterization of the plant DPP III orthologue (CROSBI ID 654775)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa

Matić, Sara ; Karačić, Zrinka ; Gruber, Karl ; Tomić, Sanja Combination of SAXS and molecular modeling in structure-function characterization of the plant DPP III orthologue // 7th Visegrad Symposium on Structural Systems Biology : Program & Abstracts. Nové Hrady, 2017. str. P6-P6

Podaci o odgovornosti

Matić, Sara ; Karačić, Zrinka ; Gruber, Karl ; Tomić, Sanja

engleski

Combination of SAXS and molecular modeling in structure-function characterization of the plant DPP III orthologue

Dipeptidyl peptidase III belongs to a family of zinc-exopeptidases, catalyzing the hydrolysis of dipeptides from N-terminus of small peptides with broad substrate specificity [1]. DPPs III are present in different organisms but their relevance still has not been fully understood. After the animal and bacterial orthologues, the first plant orthologue of DPP III, from the organism P. patens, PpDPP III, has recently been discovered and characterized [2]. For the purpose of better understanding the DPP III's role(s), we are comparing structural and functional characteristics of DPP III orthologues from different domains of life. Since the crystallization of PpDPP III was not successful, a different approach has been attempted. This approach uses the combination of molecular modeling methods and SAXS (small angle X-ray scattering) measurements. SAXS measurements provide the overall 3D structural model with information about proper domain positioning, while the homology modelling and molecular dynamics (MD) simulations offer insights into the atomistic structure and dynamics of the plant orthologue. We hope that the obtained results will enable us to correlate structure and dynamics of PpDPP III with orthologues from other organisms and to better understand the function of DPP III in plants.

SAXS ; molecular modeling ; structure-function characterization ; DPP III

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Podaci o prilogu

P6-P6.

2017.

objavljeno

Podaci o matičnoj publikaciji

7th Visegrad Symposium on Structural Systems Biology : Program & Abstracts

Nové Hrady:

Podaci o skupu

7th Visegrad Symposium on Structural Systems Biology

poster

21.06.2017-24.06.2017

Nové Hrady, Češka Republika

Povezanost rada

Interdisciplinarne prirodne znanosti, Kemija

Poveznice