Effect of intracellular loop 3 on intrinsic dynamics of human β2-adrenergic receptor.

ABSTRACT:

Background

To understand the effect of the long intracellular loop 3 (ICL3) on the intrinsic dynamics of human β2-adrenergic receptor, molecular dynamics (MD) simulations were performed on two different models, both of which were based on the inactive crystal structure in complex with carazolol (after removal of carazolol and T4-lysozyme). In the so-called loop model, the ICL3 region that is missing in available crystal structures was modeled as an unstructured loop of 32-residues length, whereas in the clipped model, the two open ends were covalently bonded to each other. The latter model without ICL3 was taken as a reference, which has also been commonly used in recent computational studies. Each model was embedded into POPC bilayer membrane with explicit water and subjected to a

SUBMITTER: Ozcan O 

PROVIDER: S-EPMC3834532 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature