中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Modeling the third loop of short-chain snake venom neurotoxins: Roles of the short-range and long-range interactions

文献类型:期刊论文

作者Liu, ZJ; Li, WZ; Zhang, HY; Han, YZ; Lai, LH
刊名PROTEINS-STRUCTURE FUNCTION AND GENETICS
出版日期2001
卷号42期号:1页码:6-16
关键词Long-range Interactions Loop Modeling Protein Structure Stability Monte Carlo Simulated Annealing Snake Venom Neurotoxin Short-range Interactions
ISSN号0887-3585
英文摘要The influence of long-range interactions on local structures is an important issue in understanding protein folding process and protein structure stability, Using short-chain snake venom neurotoxin as a model system, we have studied the conformational properties of eight different loop III sequences either in the environment of one of the short-chain neurotoxin, erabutoxin b (PDB ID 1nxb), or in free state by Monte Carlo simulated annealing method. The surrounding protein structure was found to be crucial in stabilizing the loop conformation. Although all the eight peptides prefer type V beta turn in solution, three of them (KPGI, KPGV, KSGI) turn to type II beta turn and the other five (KKGI, KKGV, KNGI, KQGI, and KRGV) are confined to more rigid type V beta turn conformation in the protein structure. Using flexible tetra-glycine-peptide to screen the backbone conformational space in the protein environment also validates the results, This study shows that long-range interactions do contribute to the stability and the types of conformation for a surface loop in protein, while short-range interactions may only provide candidate conformations, which then have to be filtered by the long-range interactions further. Proteins 2001;42:6-16. (C) 2000 Wiley-Liss, Inc.
语种英语
WOS记录号WOS:000166077200002
出版者WILEY-LISS
源URL[http://ir.iccas.ac.cn/handle/121111/77557]  
专题中国科学院化学研究所
通讯作者Lai, LH
作者单位1.Peking Univ, Inst Phys Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China
2.Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China
推荐引用方式
GB/T 7714
Liu, ZJ,Li, WZ,Zhang, HY,et al. Modeling the third loop of short-chain snake venom neurotoxins: Roles of the short-range and long-range interactions[J]. PROTEINS-STRUCTURE FUNCTION AND GENETICS,2001,42(1):6-16.
APA Liu, ZJ,Li, WZ,Zhang, HY,Han, YZ,&Lai, LH.(2001).Modeling the third loop of short-chain snake venom neurotoxins: Roles of the short-range and long-range interactions.PROTEINS-STRUCTURE FUNCTION AND GENETICS,42(1),6-16.
MLA Liu, ZJ,et al."Modeling the third loop of short-chain snake venom neurotoxins: Roles of the short-range and long-range interactions".PROTEINS-STRUCTURE FUNCTION AND GENETICS 42.1(2001):6-16.

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来源:化学研究所

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