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Comparative Modeling and Prediction of Carbohydrate Binding Pockets in 3-D Structure of Wild Pulse Lablab Purpureus Arcelin

by Arumugam.N, Dr. Janarthanan.S., Sakthivelkumar.S., Veeramani. V.
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International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 21 - Number 9
Year of Publication: 2011
Authors: Arumugam.N, Dr. Janarthanan.S., Sakthivelkumar.S., Veeramani. V.
10.5120/2541-3477

Arumugam.N, Dr. Janarthanan.S., Sakthivelkumar.S., Veeramani. V. . Comparative Modeling and Prediction of Carbohydrate Binding Pockets in 3-D Structure of Wild Pulse Lablab Purpureus Arcelin. International Journal of Computer Applications. 21, 9 ( May 2011), 14-19. DOI=10.5120/2541-3477

@article{ 10.5120/2541-3477,
author = { Arumugam.N, Dr. Janarthanan.S., Sakthivelkumar.S., Veeramani. V. },
title = { Comparative Modeling and Prediction of Carbohydrate Binding Pockets in 3-D Structure of Wild Pulse Lablab Purpureus Arcelin },
journal = { International Journal of Computer Applications },
issue_date = { May 2011 },
volume = { 21 },
number = { 9 },
month = { May },
year = { 2011 },
issn = { 0975-8887 },
pages = { 14-19 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume21/number9/2541-3477/ },
doi = { 10.5120/2541-3477 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T20:08:01.929484+05:30
%A Arumugam.N
%A Dr. Janarthanan.S.
%A Sakthivelkumar.S.
%A Veeramani. V.
%T Comparative Modeling and Prediction of Carbohydrate Binding Pockets in 3-D Structure of Wild Pulse Lablab Purpureus Arcelin
%J International Journal of Computer Applications
%@ 0975-8887
%V 21
%N 9
%P 14-19
%D 2011
%I Foundation of Computer Science (FCS), NY, USA
Abstract

Arcelin, a seed protein originally discovered in wild bean accession of Lablab purpureus was purified, characterized, and compared to phaseolin, the major seed protein of common bean Phaseolus vulgaris. There are several reports available for common bean arcelin from P. vulgaris and its defense mechanism against the stored product insect pests, but L. purpureus arcelin function is not yet studied well. To understand the molecular function of arcelin in L. purpureus the structural knowledge is essential. This work is an attempt to explore the molecular defense mechanism of L. purpureus arcelin based on homology modelling and binding pocket analysis to emphasize the structural and functional relationship. The structural template from P. vulgaris arcelin [1AVB] is selected for homology modelling of L. purpureus arcelin. The 3D structure of L. purpureus arcelin was generated using Modeller software. The best model is selected based on Ramachandran Plot, Errat and Energy minimization analysis (Steepest Descent). The overall quality of computed model showed 87.2 % amino acid residues under favored region with 93.5 % overall quality. The putative refined model of L. purpureus arcelin was deposited into Protein Model Data Base with ID: PM0076542. Deposited model is used for further active cavity analysis against carbohydrate (sugar) binding sites. These results will help further development of transgenic crops with arcelin for future integrated insect pest management (IPM) programme.

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Index Terms

Computer Science
Information Sciences

Keywords

Homology Modelling Binding pockets Lablab purpureus arcelin Protein Model Data Base Modeller

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