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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

Journal Article · · Acta Crystallographica. Section D: Biological Crystallography (Online)
 [1];  [2];  [3];  [4];  [4];  [5]
  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.
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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.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1212889
Journal Information:
Acta Crystallographica. Section D: Biological Crystallography (Online), Vol. 71, Issue 4; ISSN 1399-0047
Publisher:
International Union of CrystallographyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

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Cited By (2)

Characterizing pathological imperfections in macromolecular crystals: lattice disorders and modulations journal December 2019
Supercell refinement: a cautionary tale journal August 2019

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Related Subjects

59 BASIC BIOLOGICAL SCIENCES
pathogenesis-related class 10 protein
St John’s wort
Hypericum perforatum
8-anilino-1-naphthalene sulfonate