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Structure paper

TitleAllostery in homodimeric SARS-CoV-2 main protease.
Journal, issue, pagesCommun Biol, Vol. 7, Page 1435-1435, Year 2024
Publish dateApr 5, 2024 (structure data deposition date)
AuthorsFornasier, E. / Fabbian, S. / Shehi, H. / Enderle, J. / Gatto, B. / Volpin, D. / Biondi, B. / Bellanda, M. / Giachin, G. / Sosic, A. / Battistutta, R.
External linksCommun Biol / PubMed:39496839
MethodsX-ray diffraction
Resolution1.7 - 1.87 Å
Structure data

PDB-9ex8:
Free form of a mutant of SARS-CoV-2 main protease Mpro.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9exu:
Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp4/5 substrate peptide (cocrystallization).
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-9eya:
Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp4/5 substrate peptide (soaking).
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-9ez4:
Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp5/6 substrate peptide.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9ez6:
Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp14/15 substrate peptide.
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-GLN:
GLUTAMINE

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-NA:
Unknown entry

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE / SARS-CoV-2 / main protease / Cys-peptidase / 3CLpro / nsp5

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