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In silico functional elucidation of uncharacterized proteins of Chlamydia abortus strain LLG

Gagandeep Singh‡

Centre for Computational Biology & Bioinformatics, Central University of Himachal Pradesh, Shahpur 176206, India

‡Authors contributed equally

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,
Dixit Sharma‡

ICAR-Indian Veterinary Research Institute, Regional Station, Palampur 176061, India

‡Authors contributed equally

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,
Vikram Singh

Centre for Computational Biology & Bioinformatics, Central University of Himachal Pradesh, Shahpur 176206, India

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,
Jyoti Rani

Department of Botany, Punjabi University, Patiala 147002, India

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,
Francessco Marotta

ReGenera Research Group of Aging-Intervention & Montenapoleone Medical Centre, Milano, Italy

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,
Manoj Kumar

Department of Microbiology & Immunology, National Institute of Nutrition, Hyderabad 500007, India

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,
Gorakh Mal

ICAR-Indian Veterinary Research Institute, Regional Station, Palampur 176061, India

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&
Birbal Singh

*Author for correspondence:

E-mail Address: bsbpalampur@yahoo.co.in

ICAR-Indian Veterinary Research Institute, Regional Station, Palampur 176061, India

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Published Online:24 Jan 2017https://doi.org/10.4155/fsoa-2016-0066

Abstract

Aim: This study reports structural modeling, molecular dynamics profiling of hypothetical proteins in Chlamydia abortus genome database. Methodology: The hypothetical protein sequences were extracted from C. abortus LLG Genome Database for functional elucidation using in silico methods. Results: Fifty-one proteins with their roles in defense, binding and transporting other biomolecules were unraveled. Forty-five proteins were found to be nonhomologous to proteins present in hosts infected by C. abortus. Of these, 31 proteins were related to virulence. The structural modeling of two proteins, first, WP_006344020.1 (phosphorylase) and second, WP_006344325.1 (chlamydial protease/proteasome-like activity factor) were accomplished. The conserved active sites necessary for the catalytic function were analyzed. Conclusion: The finally concluded proteins are envisioned as possible targets for developing drugs to curtail chlamydial infections, however, and should be validated by molecular biological methods.

Lay abstract

Sequencing technologies have generated abundant data on genome and proteins of an organism. The hypothetical proteins are those whose existence is predicted by computational analysis of genes or protein sequences, but practical evidence to prove them are lacking. This study predicts functions of hypothetical proteins in Chlamydia abortus by computational and bioinformatics methods, determining their 3D structures by structural genomics, homology modeling with known proteins and annotating possible catalytic sites. These findings may be helpful for evolving strategies to curtail Chlamydia abortus infection.

Graphical abstract

Papers of special note have been highlighted as: • of interest; •• of considerable interest

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