Computational characterization and structure-driven functional exploration of a hypothetical protein from Candida auris
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Nur Alam 1 , Tanvir Hossain Emon 1 , Md. Anwar Hossain 1 , Md. Abunasar Miah 1 , Farzana Akter 1 , Md. Abdul Kader 1 , Md. Nur Islam 1 , Md. Easin Mia 1 *
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1 Department of Biotechnology and Genetic Engineering, Noakhali Science and Technology University, Noakhali-3814, BANGLADESH* Corresponding Author

Abstract

Candida auris, a fungal species, has emerged as a global menace due to its drug-resistant nature, leading to widespread invasive infections. Currently, there is no vaccine to prevent C. auris. The study was attempted to ascertain the structure and role of an unannotated hypothetical protein (HP) (accession no. QWW22972.1) from C. auris utilizing various bioinformatics tools. In this study, HP was found to be stable and polar, located in the cytoplasm. Various tools like NCBI-CD search, ScanProsite, InterPro, and SMART, identified it as a member of the Ran family of GTP-binding nuclear proteins that involves facilitating nucleocytoplasmic transport, including the import and export of proteins and RNAs during the interphase of mitosis. The protein’s secondary structure analysis indicated a dominance of the alpha helix. Its three-dimensional (3D) structure, modeled via the SWISS-MODEL server using a template protein with a 94.15% sequence identity, was validated by PROCHECK, QMEAN, Verify3D, and ERRAT tools. After YASARA energy reduction, a more stable 3D structure was visible. Furthermore, protein-protein interactions were obtained from STRING server, and active site were derived from the computed atlas of surface topography of proteins server. However, this study may enhance understanding of the molecular foundation of the HP and help identify potential therapeutic targets.

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Article Type: Research Article

J CLIN EXP INVEST, Volume 15, Issue 3, September 2024, Article No: em00837

https://doi.org/10.29333/jcei/15040

Publication date: 04 Sep 2024

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