Homology modeling of the CheW coupling protein of the chemotaxis signaling complex.

ABSTRACT: Homology models of the E. coli and T. maritima chemotaxis protein CheW were constructed to assess the quality of structural predictions and their applicability in chemotaxis research: i) a model of E. coli CheW was constructed using the T. maritima CheW NMR structure as a template, and ii) a model of T. maritima CheW was constructed using the E. coli CheW NMR structure as a template. The conformational space accessible to the homology models and to the NMR structures was investigated using molecular dynamics and Monte Carlo simulations. The results show that even though static homology models of CheW may be partially structurally different from their corresponding experimentally determined structures, the conformational space they can access through their dynamic variations can be similar,

SUBMITTER: Cashman DJ 

PROVIDER: S-EPMC3737408 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature