Structure Prediction of the whole Proteome of Monkeypox variants

Epidemiology*, Zoology
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Liangzhen Zheng# Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China++Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, 518055, China

Jintao Meng# Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, 518055, China++National Supercomputer Center in Shenzhen, Shenzhen, 518000, China

Mingzhi Lin Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China

Rui Lv Shanghai Key Laboratory of Metabolic Remodeling and Health, Institute of Metabolism and Integrative Biology, Fudan University, Shanghai 200438, China

Hongxi Cheng Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China

Lixin Zou Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China

Jinyuan Sun CAS Key Laboratory of Microbial Physiological and Metabolic Engineering, State Key Laboratory of Microbial Resources, Institute of Microbiology, Chinese Academy of Sciences, Beijing 100101, PR China

Linxian Li Ming Wai Lau Centre for Reparative Medicine, Karolinska Institutet, Hong Kong, China++Innorna (HK) Co Ltd. 12W Science and Technology West Avenue, Hong Kong Science Park, Shatin, Hong Kong, China

Ruobing Ren* Shanghai Key Laboratory of Metabolic Remodeling and Health, Institute of Metabolism and Integrative Biology, Fudan University, Shanghai 200438, China++Shanghai Qi Zhi Institute, Shanghai 200030, China

Wang Sheng* Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China++CAS Key Laboratory of Quantitative Engineering Biology, Shenzhen Institute of Synthetic Biology, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China

# contributed equally to this work


Abstract

Recently, the monkeypox virus has begun to spread in many countries worldwide. The genome sequence of the monkeypox virus, associated with the current variant leading to an outbreak, was reported. It is important to better understand the new variant for accelerating the development of vaccines and drugs. Here, we reported the structure predictions of the whole proteomes of the three monkeypox variants and annotated the potential small molecule binding regions of the proteins. Meanwhile, experimentally determined structures with high similarity to monkeypox proteins are vetted through structure-alignment algorithm. Our work would help to accelerate the development of vaccines and drugs.

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