Ontology highlight
ABSTRACT:
SUBMITTER: Schmidt MR
PROVIDER: S-EPMC4606973 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
Biochemistry 20121228 2
Protein-lipid interactions regulate many membrane protein functions. Using a multiscale approach that combines coarse-grained and atomistic molecular dynamics simulations, we have predicted the binding site for the anionic phospholipid phosphatidylinositol 4,5-bisphosphate (PIP(2)) on the Kir2.2 inwardly rectifying (Kir) potassium channel. Comparison of the predicted binding site to that observed in the recent PIP(2)-bound crystal structure of Kir2.2 reveals good agreement between simulation and ...[more]