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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

Hyp-1, a pathogenesis-related class 10 (PR-10) protein from H. perforatum, was crystallized in complex with the fluorescent probe 8-anilino-1-naphthalene sulfonate (ANS). The asymmetric unit of the tetartohedrally twinned crystal contains 28 copies of the protein arranged in columns with noncrystallographic sevenfold translational symmetry and with additional pseudotetragonal rotational NCS. 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 bemore » 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.« less
Authors:
 [1] ;  [2] ;  [3] ; ;  [4] ;  [1] ;  [5]
  1. Polish Academy of Sciences, Poznan (Poland)
  2. National Cancer Institute, Argonne National Laboratory, Argonne, IL 60439 (United States)
  3. Poznan University of Medical Sciences, Poznan (Poland)
  4. University of Cambridge, Cambridge CB2 0XY (United Kingdom)
  5. (Poland)
Publication Date:
OSTI Identifier:
22347699
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography; Journal Volume: 71; Journal Issue: Pt 4; Other Information: PMCID: PMC4388264; PMID: 25849394; PUBLISHER-ID: tz5069; OAI: oai:pubmedcentral.nih.gov:4388264; Copyright (c) Sliwiak et al. 2015; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
Denmark
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CRYSTALS; LIGANDS; MATHEMATICAL SOLUTIONS; MODULATION; MOLECULES; NAPHTHALENE; PROBES; RESOLUTION; SHEETS; SOLUTIONS; SURFACES; SYMMETRY; TWINNING; X-RAY DIFFRACTION