School of Chemical Sciences, National Institute of Science Education and Research (NISER), Bhimpur-Padanpur, Via-Jatni, Khurda, 752050 Bhubaneswar, India.
Training School Complex, Homi Bhabha National Institute, Anushakti Nagar, 400094 Mumbai, India.
J Chem Inf Model. 2021 Aug 23;61(8):3945-3954. doi: 10.1021/acs.jcim.1c00594. Epub 2021 Aug 10.
Understanding the structural and functional implications of metal ions is of pivotal significance to chemical biology. Herein, we report first time the evidence of spodium bonds (SpB's, an attractive noncovalent force involving elements from group 12 and electron-rich species) in tetrahedral Zn-binding sites. Through a combined crystallographic (PDB analysis) and computational ( calculations) study, we demonstrate that Zn SpB's are abundant and might be involved in protein structure and enzyme inhibition.
了解金属离子的结构和功能意义重大，对化学生物学而言更是如此。在此，我们首次报道了 Spodium 键（SpB，涉及第 12 族元素和富电子物种的一种有吸引力的非共价力）在四面体 Zn 结合位点中的存在证据。通过晶体学（PDB 分析）和计算（计算）研究的结合，我们证明了 Zn SpB 大量存在，并且可能参与蛋白质结构和酶抑制。
