Progress of studies in enzyme engineering and rational design based on protein structures
作者单位：Guangxi Academy of SciencesState Key Laboratory of Non-food Biomass and Enzyme Technology
会议名称：《The Ninth National Symposium on Enzyme Engineering》
会议日期：2013年
学科分类：0710[理学-生物学] 071010[理学-生物化学与分子生物学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 082203[工学-发酵工程] 0822[工学-轻工技术与工程]
摘 要：The 3D structures of biological macromolecules（proteins,RNA,and DNA）are determined by the molecular interactions forces between the structural ***,the biological functions of biological molecules are determined by the structures of *** addition to the three known interaction forces（hydrogen-bond interaction,electrostatic interaction,and van de Waals interaction）,there are several unconventional molecular interaction forces,such as cation-πinteractions,polar hydrogen-π（Hp-π）interactions,π-πstocking interactions,and coordinate interactions,which are less familiar to many *** the 20 natural amino acids 11 of them are involved in the polar hydrogen-π*** DAN and RNA the four nucleic acid components（adenine,guanine,cytosine,and thymine）possess aromatic rings and polar hydrogen atoms,which are the Hp-πinteraction acceptors and *** peptide bond units of protein backbones are also the Hp-πinteraction *** chemical method CCSD/6-311+G（d,p）+H-Bq is used in the study of Hp-π*** the polar hydrogen atom of a peptide unit perpendicularly points to theπ-plane of other peptide bond units,remarkable Hp-πinteraction *** Hp-πinteractions are distance and orientation dependent,and point-to-plane interaction,acting in a broad *** potential energy surface scanning calculations are performed on the quasiπ-plane of peptide bond unit,and around the torsion anglesΦandψbetween two connected peptide *** protein backbones the Hp-πinteraction energies are in the range from-13 to-22kj/mol,close to the hydrogen bond energies（-24 kj/mol）.The potential energy surface scanning for torsion anglesΦandψidentified four loop structural conformations,in which four different Hp-πinteraction types（H-π-l,H-π-2,H-π-3,H-π-4）maintain the shapes of *** physical nature and properties of Hp-πinteractions may provide useful concepts that are helpful for better understanding to the protein folding patterns,and to dev