The conformational changes analysis of Maltodextrin binding protein based on elastic network model

Authors:
Haiyan Li;Jihua Wang
Affiliations:
Shandong Provincial Key Laboratory of Functional Macromolecular Biophysics, Dezhou University, Physics Department, Dezhou University, Dezhou, Shandong 253023, China;Shandong Provincial Key Laboratory of Functional Macromolecular Biophysics, Dezhou University, Physics Department, Dezhou University, Dezhou, Shandong 253023, China
Venue:
International Journal of Data Mining and Bioinformatics
Year:
2013

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Abstract

Maltodextrin Binding Protein MBP has provided a model system for investigating open-closed conformation transition based on two coarse-grained elastic network models. GNM results show that the open and closed forms have the same motion hinge axes and the open-closed conformational transition mainly exhibits as a large movement of the N-domain. ANM calculation shows a transition from open/closed to closed/open, which is helpful for ligand binding or release. During the open-closed transition, the residues within the domains move in a highly coupled way, and this indicates that the hinge connecting the domains is flexible, while the domains themselves are rigid.