原创力文档an in silico study of the molecular basis of b-raf activation and conformational stability的在网上研究b - raf激活的分子基础和构象稳定.pdfVIP
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an in silico study of the molecular basis of b-raf activation and conformational stability的在网上研究b - raf激活的分子基础和构象稳定
BMC Structural Biology BioMed Central
Research article Open Access
An in silico study of the molecular basis of B-RAF activation and
conformational stability
Filip F Fratev* and Svava Ósk Jónsdóttir
Address: Center for Biological Sequence Analysis, Department of Systems Biology, Technical University of Denmark, Kemitorvet, Building 208,
DK-2800 Kongens Lyngby, Denmark
Email: Filip F Fratev* - fratev@cbs.dtu.dk; Svava Ósk Jónsdóttir - svava@cbs.dtu.dk
* Corresponding author
Published: 22 July 2009 Received: 22 February 2009
Accepted: 22 July 2009
BMC Structural Biology 2009, 9:47 doi:10.1186/1472-6807-9-47
This article is available from: /1472-6807/9/47
© 2009 Fratev and Jónsdóttir; licensee BioMed Central Ltd.
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (/licenses/by/2.0),
which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract
Background: B-RAF kinase plays an important role both in tumour induction and maintenance in
several cancers and it is an attractive new drug target. However, the structural basis of the B-RAF
activation is still not well understood.
Results: In this study we suggest a novel molecular basis of B-RAF activation based on molecular
dynamics (MD) simulations of B-RAFWT and the B-RAFV600E, B-RAFK601E and B-RAFD594V mutants.
A strong hydrogen bond network was identified in B-RAFWT in which the interactions between
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