title: Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study.
abstract: Three-dimensional models of the alpha- and beta-1 subunits of the calcium-activated potassium channel (BK) were predicted by threading modeling. A recursive approach comprising of sequence alignment and model building based on three templates was used to build these models, with the refinement of non-conserved regions carried out using threading techniques. The complex formed by the subunits was studied by means of docking techniques, using 3D models of the two subunits, and an approach based on rigid-body structures. Structural effects of the complex were analyzed with respect to hydrogen-bond interactions and binding-energy calculations. Potential interaction sites of the complex were determined by referencing a study of the difference accessible surface area (DASA) of the protein subunits in the complex.
authors.affiliation: Department of Nutrition and Biochemistry, Faculty of Sciences, Javeriana University, Bogotá DC, Colombia.
authors.forename: Janneth
authors.initials: J
authors.lastname: González
authors.forename: Angela
authors.initials: A
authors.lastname: Gálvez
authors.forename: Ludis
authors.initials: L
authors.lastname: Morales
authors.forename: George E
authors.initials: GE
authors.lastname: Barreto
authors.forename: Francisco
authors.initials: F
authors.lastname: Capani
authors.forename: Omar
authors.initials: O
authors.lastname: Sierra
authors.forename: Yolima
authors.initials: Y
authors.lastname: Torres
keywords: binding energy; docking; moelcular interactions; potassium channel