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KMID : 1025520150570010044
Journal of Animal Science and Technology
2015 Volume.57 No. 1 p.44 ~ p.44
In silico characterisation, homology modelling and structure-based functional annotation of blunt snout bream (Megalobrama amblycephala) Hsp70 and Hsc70 proteins
Tran Ngoc Tuan

Jakovli? Ivan
Wang Wei-Min
Abstract
Background: Heat shock proteins play an important role in protection from stress stimuli and metabolic insults in almost all organisms.

Methods: In this study, computational tools were used to deeply analyse the physicochemical characteristics and, using homology modelling, reliably predict the tertiary structure of the blunt snout bream (Ma-) Hsp70 and Hsc70 proteins. Derived three-dimensional models were then used to predict the function of the proteins.

Results: Previously published predictions regarding the protein length, molecular weight, theoretical isoelectric point and total number of positive and negative residues were corroborated. Among the new findings are: the extinction coefficient (33725/33350 and 35090/34840 - Ma-Hsp70/ Ma-Hsc70, respectively), instability index (33.68/35.56 ? both stable), aliphatic index (83.44/80.23 ? both very stable), half-life estimates (both relatively stable), grand average of hydropathicity (?0.431/-0.473 ? both hydrophilic) and amino acid composition (alanine-lysine-glycine/glycine-lysine-aspartic acid were the most abundant, no disulphide bonds, the N-terminal of both proteins was methionine). Homology modelling was performed by SWISS-MODEL program and the proposed model was evaluated as highly reliable based on PROCHECK¡¯s Ramachandran plot, ERRAT, PROVE, Verify 3D, ProQ and ProSA analyses.

Conclusions: The research revealed a high structural similarity to Hsp70 and Hsc70 proteins from several taxonomically distant animal species, corroborating a remarkably high level of evolutionary conservation among the members of this protein family. Functional annotation based on structural similarity provides a reliable additional indirect evidence for a high level of functional conservation of these two genes/proteins in blunt snout bream, but it is not sensitive enough to functionally distinguish the two isoforms.
KEYWORD
Hsp70, Hsc70, Physicochemical characteristics, Homology modelling, Structural similarity, Functional annotation
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