Biological and Medicinal Chemistry

Homology Models of the Papain-Like Protease PLpro from Coronavirus 2019-nCoV



The December 2019 outbreak of pneumonia in Wuhan, Hubei Province of China was rapidly linked to a novel coronavirus 2019-nCoV. The rapid spread and severity of the virus has led the World Health Organization to declare it a Public Health Emergency of International Concern. We recently described the first homology models of the main 3CL protease from 2019-nCoV, and now present models of the other viral protease, the papain-like protease or PLpro. Whilst the overall viral genome is most closely associated with bat coronaviruses, no bat PLpro crystal structures are known. Wuhan 2019-nCoV PLpro is most closely related to a bat coronavirus PLpro (97% identity), then SARS (80 %) and MERS (29%) and the most promising models presented here are prepared from SARS crystal structure templates.

Version notes

v1.0 initial submission 04-02-2020 v1.1 Alternative title


Thumbnail image of Stoermer_2020_Wuhan_CoV_PLpro.pdf

Supplementary material

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Raw models
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Refined models
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WH PLpro
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Thumbnail image of Stoermer_2020_Wuhan_CoV_PLpro_SI.docx
Stoermer 2020 Wuhan CoV PLpro SI
Thumbnail image of Stoermer_2020_Wuhan_CoV_PLpro.docx
Stoermer 2020 Wuhan CoV PLpro
Thumbnail image of Stoermer_2020_Wuhan_CoV_PLpro_SI.pdf
Stoermer 2020 Wuhan CoV PLpro SI