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

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

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
7th Visegrad Symposium on Structural Systems Biology : Program & Abstracts / - Nové Hrady, 2017, P6-P6

Skup
7th Visegrad Symposium on Structural Systems Biology

Mjesto i datum
Nové Hrady, Češka Republika, 21.06.2017. - 24.06.2017

Vrsta sudjelovanja
Poster

Vrsta recenzije
Podatak o recenziji nije dostupan

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

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Interdisciplinarne prirodne znanosti

POVEZANOST RADA