Document Detail

Folding of small helical proteins assisted by small-angle X-ray scattering profiles.
MedLine Citation:
PMID:  16271882     Owner:  NLM     Status:  MEDLINE    
This paper reports a computational method for folding small helical proteins. The goal was to determine the overall topology of proteins given secondary structure assignment on sequence. In doing so, a Monte Carlo protocol, which combines coarse-grained normal modes and a Hamiltonian at a different scale, was developed to enhance sampling. In addition to the knowledge-based potential functions, a small-angle X-ray scattering (SAXS) profile was also used as a weak constraint for guiding the folding. The algorithm can deliver structural models with overall correct topology, which makes them similar to those of 5 approximately 6 A cryo-EM density maps. The success could contribute to make the SAXS technique a fast and inexpensive solution-phase experimental method for determining the overall topology of small, soluble, but noncrystallizable, helical proteins.
Yinghao Wu; Xia Tian; Mingyang Lu; Mingzhi Chen; Qinghua Wang; Jianpeng Ma
Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Structure (London, England : 1993)     Volume:  13     ISSN:  0969-2126     ISO Abbreviation:  Structure     Publication Date:  2005 Nov 
Date Detail:
Created Date:  2005-11-07     Completed Date:  2008-07-10     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101087697     Medline TA:  Structure     Country:  United States    
Other Details:
Languages:  eng     Pagination:  1587-97     Citation Subset:  IM    
Department of Bioengineering, Rice University, Houston, Texas 77005, USA.
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MeSH Terms
Computational Biology*
Models, Molecular
Monte Carlo Method
Protein Folding*
Protein Structure, Secondary*
Protein Structure, Tertiary
Proteins / chemistry*
Scattering, Radiation
X-Ray Diffraction
Grant Support
Reg. No./Substance:

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