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首页> 外文期刊>Acta crystallographica, Section D. Biological crystallography >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
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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

机译：具有不对称单元28个拷贝的圣约翰草PR-10蛋白的ANS复合物：伪对称与四面体孪晶的奇特结合

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摘要

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 angstrom resolution reveals that the Hyp-1 molecules (packed as beta-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.
机译：Hyp-1是与圣约翰草（Hypericum perforatum）的致病相关的10类（PR-10）蛋白，与荧光探针8-苯胺基-1-萘磺酸盐（ANS）形成复合晶体。高度伪对称的晶体具有28个独特的蛋白质分子，它们沿c排列成具有七倍的翻译非结晶对称性（tNCS）的列，并且其调制的X射线衍射的强度波峰分别为l = 7n和l = 7n +/- 3。伪四边形旋转NCS。该晶体是理想的四面体孪晶，尽管假对称严重阻碍了孪晶的检测。在2.4埃分辨率下确定的结构表明，Hyp-1分子（包装为β-折叠二聚体）具有三个新的配体结合位点（两个内部和一个在表面口袋中），这已通过溶液研究得到证实。除了60个Hyp-1-docked配体外，还有29个间隙ANS分子以违反蛋白质分子排列的方式分布，很可能是结构调节的产生者。特别是，每当发现堆积的Hyp-1分子靠得更近时，就会有一个ANS分子将它们桥接。

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