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Structure paper

TitleDiscovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Journal, issue, pagesRsc Chem Biol, Vol. 3, Page 1013-1027, Year 2022
Publish dateDec 7, 2020 (structure data deposition date)
AuthorsOsipov, E.M. / Munawar, A.H. / Beelen, S. / Fearon, D. / Douangamath, A. / Wild, C. / Weeks, S.D. / Van Aerschot, A. / von Delft, F. / Strelkov, S.V.
External linksRsc Chem Biol / PubMed:35974998
MethodsX-ray diffraction
Resolution1.44 - 2.484 Å
Structure data

PDB-7b69:
BK Polyomavirus VP1 pentamer core(residues 26-299) mutant C104S
Method: X-RAY DIFFRACTION / Resolution: 1.474 Å

PDB-7b6a:
BK Polyomavirus VP1 pentamer core (residues 30-299)
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-7b6c:
BK Polyomavirus VP1 pentamer fusion with long C-terminal extended arm
Method: X-RAY DIFFRACTION / Resolution: 2.484 Å

Chemicals

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

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-IOD:
IODIDE ION

ChemComp-NA:
Unknown entry

Source
  • bk polyomavirus
KeywordsVIRAL PROTEIN / Polyomavirus / Capsid protein / chimera

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