UniversePG I www.universepg.com 61 An In silico Approach for Structural and Functional Annotation of Uncharacterized Protein Rv0986 present in Mycobacterium tuberculosis Abu Saim Mohammad Saikat 1 *, Md. Lutful Kabir 1 , and Abul Bashar Ripon Khalipha 2 1 Dept. of Biochemistry and Molecular Biology, Bangabandhu Sheikh Mujibur Rahman Science and Technology University (BSMRSTU), Gopalganj, Bangladesh; 2 Dept. of Pharmacy, Bangabandhu Sheikh Mujibur Rahman Science and Technology University (BSMRSTU), Gopalganj, Bangladesh. *Correspondence: asmsaikat.bmb@gmail.com (Abu Saim Mohammad Saikat, Dept. of Biochemistry and Molecular Biology, BSMRSTU, Gopalganj, Bangladesh. ABSTRACT Tuberculosis (TB) is an ancient infectious disease caused by Mycobacterium tuberculosis (MTB). MTB is a human pathogen. Surprisingly, TB has become the top disease for its death rate worldwide. The uncharacterized protein Rv0986 is closely related to the transporters of the ATP-binding cassette domain, therefore, take part in the export of macrolide as well as a lipoprotein. Furthermore, it is associated with cell division protein. Hence, the protein has a significant role in mycobacterial infection. But, so far, the uncharacterized protein Rv0986 is not elaborated. As a result, in this study, the structural and functional annotation of the protein is described through in silico approach. The predicted tertiary structures of the protein generated by Swiss Model, Modeller, and Phyre2, and documented by the Ramachandran Plot analysis with PROCHECK, Verify 3D, and Swiss- Model Interactive Workplace. Z-score also applied for the overall structural assessment. This study will unleash the importance of the uncharacterized protein present in MTB, therefore, it provides an opportunity for drug and vaccine targeting against infection by MTB. Keywords: Mycobacterium tuberculosis, Homology modeling, Protein Rv0986, In silico, and Ligand binding site. 1. INTRODUCTION Mycobacterium tuberculosis is a human pathogen caused the most lethal disease tuberculosis. MTB is a rod-like, acid-fast, Gram-positive organism. Amazi- ngly, TB is one of the most lethal diseases and ranked over HIV/AIDS globally. Tuberculosis spreads from infected people with MTB bacteria into the air, i.e. by coughing. In general, pulmonary TB causes by infection with lungs by MTB, and infection with MTB of other sites of the body causes extra pulmonary TB. It is estimated that about 10 million people are in new cases (range: 9.0-11.1 million), and about 1.2 million deaths by MTB infection (range, 1.1-1.3 million) even though people with HIV-negative in 2018. Therefore, people are at high risk for infection with MTB worldwide (WHO;Global tuberculosis report 2019; Ellison, 2019; Duarte et al., 2017). The protein Rv0986 is an ABC transporter ATP-binding protein of M. tuberculosis (strain ATCC 25618/H37Rv. Rv0986 has the ATPase catalytic subunit of an ABC transporter complex. This complex protein is deeply associated with coupling the energy of ATP hydrolysis which the main function is to the import of one or more from a variety of substrates like macrolide, lipoproteins, and hemin. As a result, Rv0986 is related to MTB infection (Wu et al., 2019; Holland and Holland, 2005; Beis, 2015). But, the protein structural and functional annotation with ligand binding active sites not explored. European Journal of Medical and Health Sciences, 2(3), 61-67, 2020 Publisher homepage: www.universepg.com, ISSN: 2663-7529 (Online) & 2663-7510 (Print) https://doi.org/10.34104/ejmhs.020.061067 European Journal of Medical and Health Sciences Journal homepage: www.universepg.com/journal/ejmhs