Essential dynamics and sidechain hydrogen bond cluster studies on eosinophil cationic protein
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Corresponding author: a firstname.lastname@example.org
Published online: 13 September 2002
Eosinophil Cationic Protein (ECP) is a member of RNase A superfamily which carries out the obligatory catalytic role of cleaving RNA. It is involved in a variety of biological functions. Molecular dynamics simulations followed by essential dynamics analysis on this protein are carried out with the goal of gaining insights into the dynamical properties at atomic level. The top essential modes contribute to subspaces and to the transition phase. Further, the sidechain-sidechain/sidechain-mainchain hydrogen bond clusters are analyzed in the top modes, and compared with those of crystal structure. The role of residues identified by these methods is discussed in the context of concerted motion, structure and stability of the protein.
PACS: 82.37.Rs – Single molecule manipulation of proteins and other biological molecules
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2002