ICCAS OpenIR
Modeling the third loop of short-chain snake venom neurotoxins: Roles of the short-range and long-range interactions
Liu, ZJ; Li, WZ; Zhang, HY; Han, YZ; Lai, LH
2001
Source PublicationPROTEINS-STRUCTURE FUNCTION AND GENETICS
ISSN0887-3585
Volume42Issue:1Pages:6-16
AbstractThe 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.
KeywordLong-range Interactions Loop Modeling Protein Structure Stability Monte Carlo Simulated Annealing Snake Venom Neurotoxin Short-range Interactions
Indexed BySCI
Language英语
WOS IDWOS:000166077200002
PublisherWILEY-LISS
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77558
Collection中国科学院化学研究所
Corresponding AuthorLai, LH
Affiliation1.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
Recommended Citation
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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