International Journal of Current Microbiology and Applied Sciences (IJCMAS)
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Original Research Articles                      Volume : 7, Issue:6, June, 2018

PRINT ISSN : 2319-7692
Online ISSN : 2319-7706
Issues : 12 per year
Publisher : Excellent Publishers
Email : /
Editor-in-chief: Dr.M.Prakash
Index Copernicus ICV 2018: 95.39
NAAS RATING 2020: 5.38

Int.J.Curr.Microbiol.App.Sci.2018.7(6): 2169-2176

Homology-Based Structure Prediction of the Human Kruppel-Like Factor 1 Protein
Sayed Abdul Azeez*
Department of Genetic Research, Institution for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University (Formerly: University of Dammam), Dammam, Saudi Arabia
*Corresponding author

Erythroid Kruppel-like transcription factor (KLF1 or EKLF) plays a vital role in haematopoiesis. The KLF1 protein is composed of 362 amino acids that are coded within three exons of the KLF1 gene, covering three zinc fingers and two functional domains. The Protein Data Bank contains only one structure of KLF1 (id 2MBH) from Homosapiens, with a length of 41 amino acids, thus lacking a complete 3D model. The present study has been undertaken to predict the 3D structure of KLF1 using automated protein homology modelling servers. These structural attributes were predicted using a hierarchical approach by Iterative Threading ASSEmbly Refinement, which can be used to predict similarities and comparative awareness of ligand interactions with KLF1. Based on the output of I-TASSER server simulations, a model was generated with a C-score of 3.79. This high value signifies the best predicted 3D structural model of KLF1, with the lowest RMSD value of 1.26 Šand an energy minimization of -532 kcal/mol, which was validated with KoBaMIN. Thus, our structurally and energetically optimized KLF1 3D structure can be used as a model for further theoretical studies in structure-based drug design of novel compounds for the treatment of SCD and beta thalassemia disorders.

Keywords: Protein homology modelling; KLF1 gene; Ramchandran plot; Insilco methodologies; I-TASSER; 3D structure prediction

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How to cite this article:

Sayed Abdul Azeez. 2018. Homology-Based Structure Prediction of the Human Kruppel-Like Factor 1 Protein.Int.J.Curr.Microbiol.App.Sci. 7(6): 2169-2176. doi:
Copyright: This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike license.