Molecular dynamics simulation and essential dynamics study of mutated plastocyanin: structural, dynamical and functional effects of a disulfide bridge insertion at the protein surface.

doi:10.1016/s0301-4622(01)00199-5

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Article

Molecular dynamics simulation and essential dynamics study of mutated plastocyanin: structural, dynamical and functional effects of a disulfide bridge insertion at the protein surface.

Biophysical chemistry - 18 Sept 2001

Arcangeli C, Bizzarri A R, Cannistraro S

Abstract excerpt

A molecular dynamics simulation (1.1 ns) at 300 K, of fully hydrated Ile21Cys, Glu25Cys plastocyanin mutant has been performed to investigate the structural, dynamical and functional effects of a disulfide bridge insertion at the surface of the protein. A detailed analysis of the root mean square fluctuations, H-bonding pattern and dynamical cross-correlation map has been performed. An essential dynamics method...

Topics

Algorithms
Computer Simulation
Disulfides
Hydrogen Bonding
Models, Molecular
Mutation
Plastocyanin
Protein Conformation
Proteins

Source

Open in PubMed

Identifiers

PMID: 11583835
DOI: 10.1016/s0301-4622(01)00199-5

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