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首页> 外文期刊>Acta crystallographica. Section D, Structural biology. >CheckMyMetal CheckMyMetal : a macromolecular metal‐binding validation tool
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CheckMyMetal CheckMyMetal : a macromolecular metal‐binding validation tool

机译:CheckMyMetal CheckMyMetal:大分子金属的绑定验证工具

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摘要

Metals are essential in many biological processes, and metal ions are modeled in roughly 40% of the macromolecular structures in the Protein Data Bank (PDB). However, a significant fraction of these structures contain poorly modeled metal‐binding sites. CheckMyMetal ( CMM ) is an easy‐to‐use metal‐binding site validation server for macromolecules that is freely available at http://csgid.org/csgid/metal_sites . The CMM server can detect incorrect metal assignments as well as geometrical and other irregularities in the metal‐binding sites. Guidelines for metal‐site modeling and validation in macromolecules are illustrated by several practical examples grouped by the type of metal. These examples show CMM users (and crystallographers in general) problems they may encounter during the modeling of a specific metal ion.
机译:在许多生物过程,稀土都是至关重要的和金属离子在大约40%的建模大分子蛋白质数据结构银行(PDB)。这些结构包含差建模金属结合位点。简单~使用金属结合位点应承担的验证服务器是免费的大分子http://csgid.org/csgid/metal_sites。服务器可以检测金属作业不正确几何和其他违规行为金属结合位点。金属网站的建模和验证大分子由几个实例类型分组的金属。这些例子显示用户(和CMM他们可能晶体学家们)问题建模中遇到特定的金属离子。

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