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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Metal-free MIRAS phasing: structure of apo-S100A3.
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Metal-free MIRAS phasing: structure of apo-S100A3.

机译：不含金属的米拉逐步:apo-S100A3结构。

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摘要

S100 proteins are involved in metal-dependent intracellular signalling. Metal-free S100A3, a cysteine-rich Ca(2+)- and Zn(2+)-binding protein, has been crystallized by vapour diffusion under the strict exclusion of oxygen and in the absence of divalent metal ions. Metal binding induces large conformational changes, rendering the apo-S100A3 crystals very sensitive to various metal compounds. Therefore, the structure was solved by MIRAS phasing using potassium iodide and xenon derivatives. Iodide replaces a water molecule at the surface of the S100A3 protein, whereas xenon binds in a hydrophobic cavity at the dimer interface. Despite significant non-isomorphism, the combination of both derivatives was sufficient for structure determination. The overall apo-S100A3 structure resembles the structures of metal-free S100B and S100A6 solution structures. In contrast to the NMR structures, the EF-hand loops are well ordered in the apo-S100A3 crystal structure. In the N-terminal pseudo-EF-hand loop a water molecule occupies the position of the Ca(2+) ion. The C-terminal canonical EF-hand loop shows an extended conformation and a different helix arrangement to other S100/metal complex crystal structures.
机译：S100蛋白参与metal-dependent胞内信号。cysteine-rich Ca(2 +)和锌(2 +)结合蛋白,被蒸汽扩散结晶严格的排除氧气和没有二价金属离子。大的构象变化,呈现对各种apo-S100A3晶体非常敏感金属化合物。解决了米拉逐步使用碘化钾和氙衍生品。蛋白质分子表面的S100A3,而氙气绑定在一个疏水空腔二聚体界面。non-isomorphism,两者的结合衍生品的结构的决心。类似的结构不含金属的S100B和S100A6解决方案结构。NMR结构,这类ef - hand循环命令apo-S100A3晶体结构。氨基pseudo-EF-hand环水分子占据的位置Ca(2 +)离子。c端规范类ef - hand循环显示了扩展形态和不同的螺旋安排到其他S100 /金属复合物晶体结构。

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