Sorry, you need to enable JavaScript to visit this website.

Concerted motions in copper plastocyanin and azurin: An essential dynamics study

TitoloConcerted motions in copper plastocyanin and azurin: An essential dynamics study
Tipo di pubblicazioneArticolo su Rivista peer-reviewed
Anno di Pubblicazione2001
AutoriArcangeli, Caterina, Bizzarri A.R., and Cannistraro S.
RivistaBiophysical Chemistry
Volume90
Paginazione45-56
ISSN03014622
Parole chiavearticle, azurin, binding site, binocular convergence, computer model, Computer simulation, Copper, Crystallography, electron transport, molecular dynamics, motion, plastocyanin, priority journal, protein binding, Protein Conformation, protein modification, simulation, X-Ray
Abstract

Essential dynamics analysis of molecular dynamics simulation trajectories (1.1 ns) of two copper containing electron transfer proteins, plastocyanin and azurin, has been performed. The protein essential modes have been analysed in order to identify large concerted motions which could be relevant for the electron transfer function exerted by these proteins. The analysis, conducted for temporal windows of different lengths along the protein trajectories, shows a rapid convergence and indicates that for both the proteins the predominant internal motions occur in a subspace of only a few degrees of freedom. Moreover, it is found that for both the proteins the likely binding sites (i.e. the hydrophobic and negative patches) with the reaction partners move in a concerted fashion with a few structural regions far from the active site. Such results are discussed in connection with the possible involvement of large concerted motions in the recognition and binding interaction with physiological electron transfer partners. Copyright © 2001 Elsevier Science B.V.

Note

cited By 43

URLhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-0035869698&doi=10.1016%2fS0301-4622%2801%2900128-4&partnerID=40&md5=1aa149811fa11c152864638511068e1f
DOI10.1016/S0301-4622(01)00128-4
Citation KeyArcangeli200145