Allosteric Transitions of Supramolecular Systems Explored by Network Models: Application to Chaperonin GroEL (original) (raw)
Figure 6
Transition among T/T→R/T→R″/R forms of the intact GroEL complex.
(A) Energy profiles of the intact GroEL complex (R/T→R″/R) along the reaction coordinate computed by _a_ANM (blue) and Cartesian interpolation (orange) using the double-well potential given by Eq. (7). (B) Contribution of different modes at various steps (1, 6, 11 and 15) along the transition R/T→R″/R. Broader numbers of higher frequency modes are recruited as the structure approaches the energy barrier (see Table 5). (C) Top view of structures sampled along the transition. Snapshots corresponding to conformations ,
,
,
and
are shown. (D) Side view of the same structures. (E) Close-up views of pairs of adjacent subunits. The diagrams in panels C–E are color-coded according to the mobilities of residues (red: most mobile; blue: almost fixed). Note that the equatorial domains of cis ring subunits are almost fixed, while the largest motions occur at the apical domains of the same subunits.