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@article{Delmotte:2011:5/055010,
author = {Delmotte, A and Tate, EW and Yaliraki, SN and Barahona, M},
doi = {5/055010},
journal = {PHYSICAL BIOLOGY},
title = {Protein multi-scale organization through graph partitioning and robustness analysis: application to the myosin-myosin light chain interaction},
url = {http://dx.doi.org/10.1088/1478-3975/8/5/055010},
volume = {8},
year = {2011}
}
TY - JOUR
AB - Despite the recognized importance of the multi-scale spatio-temporal organization of proteins, most computational tools can only access a limited spectrum of time and spatial scales, thereby ignoring the effects on protein behavior of the intricate coupling between the different scales. Starting from a physico-chemical atomistic network of interactions that encodes the structure of the protein, we introduce a methodology based on multi-scale graph partitioning that can uncover partitions and levels of organization of proteins that span the whole range of scales, revealing biological features occurring at different levels of organization and tracking their effect across scales. Additionally, we introduce a measure of robustness to quantify the relevance of the partitions through the generation of biochemically-motivated surrogate random graph models. We apply the method to four distinct conformations of myosin tail interacting protein, a protein from the molecular motor of the malaria parasite, and study properties that have been experimentally addressed such as the closing mechanism, the presence of conserved clusters, and the identification through computational mutational analysis of key residues for binding.
AU - Delmotte,A
AU - Tate,EW
AU - Yaliraki,SN
AU - Barahona,M
DO - 5/055010
PY - 2011///
SN - 1478-3975
TI - Protein multi-scale organization through graph partitioning and robustness analysis: application to the myosin-myosin light chain interaction
T2 - PHYSICAL BIOLOGY
UR - http://dx.doi.org/10.1088/1478-3975/8/5/055010
UR - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=000294604000011&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR - http://hdl.handle.net/10044/1/10360
VL - 8
ER -
Prof. Ed Tate
GSK Chair in Chemical Biology
Department of Chemistry
Molecular Sciences Research Hub, White City Campus,
82 Wood Lane, London, W12 0BZ
e.tate@imperial.ac.uk
Tel: +44 (0)20 759 + ext 43752 or 45821