Allosteric communication occurs via networks of tertiary and quaternary motions in proteins.

ABSTRACT: Allosteric proteins bind an effector molecule at one site resulting in a functional change at a second site. We hypothesize that allosteric communication in proteins relies upon networks of quaternary (collective, rigid-body) and tertiary (residue-residue contact) motions. We argue that cyclic topology of these networks is necessary for allosteric communication. An automated algorithm identifies rigid bodies from the displacement between the inactive and the active structures and constructs "quaternary networks" from these rigid bodies and the substrate and effector ligands. We then integrate quaternary networks with a coarse-grained representation of contact rearrangements to form "global communication networks" (GCNs). The GCN reveals allosteric communication among all substrate and effe

SUBMITTER: Daily MD 

PROVIDER: S-EPMC2634971 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature