Dynamics and energetics: a consensus analysis of the impact of calcium on EF-CaM protein complex.

ABSTRACT: We have studied the relationship between dynamical correlations and energetic contributions in an attempt to model the transmission of information inside protein-protein complexes. The complex formed between the edema factor (EF) of Bacillus anthracis and calmodulin (CaM) was taken as an example, as the formation and stability of the complex depend on the calcium complexation level. The effect of calcium through EF-CaM residue network has been investigated with various approaches: 1), the elastic network model; 2), the local feature analysis; 3), the generalized correlations; and 4), the energetic dependency maps (EDMs), on 15-ns molecular dynamics simulations of the complex loaded with 0, 2, or 4 Ca2+ ions. The elastic network model correctly describes the basic architecture of the comple

SUBMITTER: Laine E 

PROVIDER: S-EPMC2717238 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature