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Title: ANS complex of St John's wort PR-10 protein with 28 copies in the asymmetric unit: A fiendish combination of pseudosymmetry with tetartohedral twinning

Abstract

Hyp-1, a pathogenesis-related class 10 (PR-10) protein from St John's wort (Hypericum perforatum), was crystallized in complex with the fluorescent probe 8-anilino-1-naphthalene sulfonate (ANS). The highly pseudosymmetric crystal has 28 unique protein molecules arranged in columns with sevenfold translational noncrystallographic symmetry (tNCS) along c and modulated X-ray diffraction with intensity crests at l = 7n and l = 7n ± 3. The translational NCS is combined with pseudotetragonal rotational NCS. The crystal was a perfect tetartohedral twin, although detection of twinning was severely hindered by the pseudosymmetry. The structure determined at 2.4 Å resolution reveals that the Hyp-1 molecules (packed as β-sheet dimers) have three novel ligand-binding sites (two internal and one in a surface pocket), which was confirmed by solution studies. In addition to 60 Hyp-1-docked ligands, there are 29 interstitial ANS molecules distributed in a pattern that violates the arrangement of the protein molecules and is likely to be the generator of the structural modulation. In particular, whenever the stacked Hyp-1 molecules are found closer together there is an ANS molecule bridging them.

Authors:
 [1];  [2];  [3];  [4];  [4];  [5]
+ Show Author Affiliations
  1. Polish Academy of Sciences, Poznan (Poland). Center for Biocrystallogrphic Research.
  2. Argonne National Lab., Argonne, IL (United States). Synchrotron Radiation Research Section.
  3. Poznan Univ. of Medical Sciecnes, Poznan (Poland). Dept. of Organic Chemistry.
  4. Univ. of Cambridge, Cambridge (England). Dept. of Haematology.
  5. Polish Academy of Sciences, Poznan (Poland). Center for Biocrystallogrphic Research; A. Mickiewicz Univ., Poznan (Poland). Dept. of Crystallography.
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1212889
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section D: Biological Crystallography (Online)
Additional Journal Information:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography (Online); Journal Volume: 71; Journal Issue: 4; Journal ID: ISSN 1399-0047
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; pathogenesis-related class 10 protein; St John’s wort; Hypericum perforatum; 8-anilino-1-naphthalene sulfonate

Citation Formats

Sliwiak, Joanna, Dauter, Zbigniew, Kowiel, Marcin, McCoy, Airlie J., Read, Randy J., and Jaskolski, Mariusz. ANS complex of St John's wort PR-10 protein with 28 copies in the asymmetric unit: A fiendish combination of pseudosymmetry with tetartohedral twinning. United States: N. p., 2015. Web. doi:10.1107/S1399004715001388.
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Sliwiak, Joanna, Dauter, Zbigniew, Kowiel, Marcin, McCoy, Airlie J., Read, Randy J., & Jaskolski, Mariusz. ANS complex of St John's wort PR-10 protein with 28 copies in the asymmetric unit: A fiendish combination of pseudosymmetry with tetartohedral twinning. United States. https://doi.org/10.1107/S1399004715001388
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Sliwiak, Joanna, Dauter, Zbigniew, Kowiel, Marcin, McCoy, Airlie J., Read, Randy J., and Jaskolski, Mariusz. Thu . "ANS complex of St John's wort PR-10 protein with 28 copies in the asymmetric unit: A fiendish combination of pseudosymmetry with tetartohedral twinning". United States. https://doi.org/10.1107/S1399004715001388. https://www.osti.gov/servlets/purl/1212889.
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@article{osti_1212889,
title = {ANS complex of St John's wort PR-10 protein with 28 copies in the asymmetric unit: A fiendish combination of pseudosymmetry with tetartohedral twinning},
author = {Sliwiak, Joanna and Dauter, Zbigniew and Kowiel, Marcin and McCoy, Airlie J. and Read, Randy J. and Jaskolski, Mariusz},
abstractNote = {Hyp-1, a pathogenesis-related class 10 (PR-10) protein from St John's wort (Hypericum perforatum), was crystallized in complex with the fluorescent probe 8-anilino-1-naphthalene sulfonate (ANS). The highly pseudosymmetric crystal has 28 unique protein molecules arranged in columns with sevenfold translational noncrystallographic symmetry (tNCS) along c and modulated X-ray diffraction with intensity crests at l = 7n and l = 7n ± 3. The translational NCS is combined with pseudotetragonal rotational NCS. The crystal was a perfect tetartohedral twin, although detection of twinning was severely hindered by the pseudosymmetry. The structure determined at 2.4 Å resolution reveals that the Hyp-1 molecules (packed as β-sheet dimers) have three novel ligand-binding sites (two internal and one in a surface pocket), which was confirmed by solution studies. In addition to 60 Hyp-1-docked ligands, there are 29 interstitial ANS molecules distributed in a pattern that violates the arrangement of the protein molecules and is likely to be the generator of the structural modulation. In particular, whenever the stacked Hyp-1 molecules are found closer together there is an ANS molecule bridging them.},
doi = {10.1107/S1399004715001388},
journal = {Acta Crystallographica. Section D: Biological Crystallography (Online)},
number = 4,
volume = 71,
place = {United States},
year = {Thu Mar 26 00:00:00 EDT 2015},
month = {Thu Mar 26 00:00:00 EDT 2015}
}
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