title: Asymmetry in structural response of inner and outer transmembrane segments of CorA protein by a coarse-grain model.
abstract: Structure of CorA protein and its inner (i.corA) and outer (o.corA) transmembrane (TM) components are investigated as a function of temperature by a coarse-grained Monte Carlo simulation. Thermal response of i.corA is found to differ considerably from that of the outer component, o.corA. Analysis of the radius of gyration reveals that the inner TM component undergoes a continuous transition from a globular conformation to a random coil structure on raising the temperature. In contrast, the outer transmembrane component exhibits an abrupt (nearly discontinuous) thermal response in a narrow range of temperature. Scaling of the structure factor shows a globular structure of i.corA at a low temperature with an effective dimension D ∼ 3 and a random coil at a high temperature with D ∼ 2. The residue distribution in o.corA is slightly sparser than that of i.corA in a narrow thermos-responsive regime. The difference in thermos-response characteristics of these components (i.corA and o.corA) may reflect their unique transmembrane functions.
authors: Faculty of Science at Sriracha, Kasetsart University Sriracha Campus, Chonburi 20230, Thailand.
authors: Sunan
authors: S
authors: Kitjaruwankul
authors: Department of Chemistry, Chulalongkorn University, Bangkok 10330, Thailand.
authors: Channarong
authors: C
authors: Khrutto
authors: Department of Chemistry, Chulalongkorn University, Bangkok 10330, Thailand.
authors: Pornthep
authors: P
authors: Sompornpisut
authors: Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright Patterson, Air Force Base, Ohio 45433, USA.
authors: B L
authors: BL
authors: Farmer
authors: Department of Physics and Astronomy, University of Southern Mississippi, Hattiesburg, Mississippi 39406, USA.
authors: R B
authors: RB
authors: Pandey
mesh_terms: D027682:Cation Transport Proteins / Q000737:chemistry*; D008954:Models, Biological; D056004:Molecular Dynamics Simulation; D011487:Protein Conformation; D013696:Temperature
chemical_list: D027682:Cation Transport Proteins