肽酰转移酶催化肽键形成机理的理论计算研究  

Quantum chemical study on mechanism of ribosomal peptide bond formation catalyzed by peptidyl transferase

作　　者：程林[1] 万坚[1] 

机构地区：[1]华中师范大学农药与化学生物学教育部重点实验室,武汉430079

出　　处：《华中师范大学学报（自然科学版）》2006年第1期60-62,共3页Journal of Central China Normal University：Natural Sciences

基　　金：国家自然科学基金项目(20203009);湖北省自然科学基金创新群体项目(2004ABC002);国家重大基础研究目前专项(2004CCA00100);湖北省青年杰出人才基金

摘　　要：In this paper,we report the results of a HF/6-31G** and B3LYP/6-31+G** computational investigation of the title reaction for the peptide bond synthesis catalyzed by a single adenine,guanine or uracil.Thus,the analysis of the geometry and energetics of the critical structures involved in this title reaction yields insight into the catalytic mode of action of RNA molecules.The imino form of adenine should not be considered as a prerequisite for A2451 to have function as a general acid-base catalyst.The other nucletides of RNA,guanine,cytosine,and uracil,have the similar general acid-base catalytic function and mechanism with those of adenine.In this paper, we report the results of a HF/6 31G＊ ＊ and B3LYP/6-31＋ G ＊ ＊ computational investigation of the title reaction for the peptide bond synthesis catalyzed by a single adenine, guanine or uracil. Thus, the analysis of the geometry and energetics of the critical structures involved in this title reaction yields insight into the catalytic mode of action of RNA molecules. The imino form of adenine should not be considered as a prerequisite for A2451 to have function as a general acid-base catalyst. The other nucletides of RNA, guanine, cytosine, and uracil, have the similar general acid-base catalytic function ＂and mechanism with those of adenine.

关 键 词：肽酰转移酶 反应机理 溶剂化 

分 类 号：O641.12[理学—物理化学]