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Homology Models of Wuhan Coronavirus 3CLpro Protease

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Working Paper

Martin Stoermer The University of Queensland

Abstract

A regional outbreak of pneumonia in Wuhan, Hubei Province of China in late 2019 was associated with a novel coronavirus. Rapid release of genomic data for the isolated virus enabled the construction of first-generation homology models of the new CoV 3CL^pro cysteine protease. Whilst the overall viral genome was most closely associated with bat coronaviruses, the main protease is most closely related (96% identity) to SARS CoV protease.

Version notes

17/01/2020 Initial ChemRxiv upload - awaiting feedback from data suppliers 20/01/2020 Submission

Content

Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro230120.pdf

Supplementary material

Thumbnail image of TOC_graphic.png

TOC graphic

EMBOSS NEEDLE Alignments

Raw models

Refined Dimers

Refined monomers

Bat WH SARS protease

README

WH human 3CLproModel2 from3vb3 Minimised

Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro_SI2301209.pdf

Stoermer 2020 Wuhan CoV 3CLpro SI2301209

Stoermer 2020 Wuhan CoV 3CLpro230120

Stoermer 2020 Wuhan CoV 3CLpro SI2301209

Version History

Feb 05, 2020 Version 3

Feb 04, 2020 Version 2

Jan 24, 2020 Version 1

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The content is available under CC BY 4.0 License CreativeCommons.org

DOI

10.26434/chemrxiv.11637294.v1

Author’s competing interest statement

I declare that there are no conflicts of interest. This work is entirely derived from data in the public domain

Keywords

Wuhan coronavirus

protease

homology modeling

3CLpro

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This content is an early or alternative research output and has not been peer-reviewed at the time of posting.