Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors,Chemistry - A European Journal

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Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors
Chemistry - A European Journal ( IF 3.9 ) Pub Date : 2022-06-07 , DOI: 10.1002/chem.202201660
Antonio Bauzá ₁ , Antonio Frontera ₂

Affiliation

A Protein Data Bank inspection revealed the existence of noncovalent contacts between tetra- and pentacoordinated Mo/W complexes and electron donor atoms. This newly attractive force involving elements from group 6 has been described as a Wolfium bond, being markedly different from classical coordination bonds (antibonding Wf-Ligand orbital involved). The results derived from the PDB survey have been backed up by an ab initio computational study at the RI-MP2/def2-TZVP level of theory.

中文翻译：

生物系统中涉及第 6 组的非共价相互作用：钼蝶呤和钨蝶呤辅助因子的案例

蛋白质数据库检查揭示了四配位和五配位 Mo/W 配合物与电子供体原子之间存在非共价接触。这种涉及第 6 族元素的新吸引力被描述为镅键，与经典配位键（涉及反键 Wf-配体轨道）明显不同。PDB 调查得出的结果得到了 RI-MP2/def2-TZVP 理论水平的从头计算研究的支持。

更新日期：2022-06-07

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