Open AccessIntegrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): A Docking Study
Author(s) -
Janneth González,
Angela Jazmín Gálvez,
Ludis Morales,
George E. Barreto,
Francisco Capani,
Omar Sierra,
Yolima P. Torres
Publication year - 2013
Publication title -
bioinformatics and biology insights
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 23
ISSN - 1177-9322
DOI - 10.4137/bbi.s10077
Subject(s) - docking (animal) , threading (protein sequence) , calcium channel , chemistry , template , hydrogen bond , biophysics , beta (programming language) , potassium channel , binding site , calcium , crystallography , computational biology , biological system , stereochemistry , computer science , protein structure , materials science , biochemistry , biology , nanotechnology , molecule , programming language , medicine , nursing , organic chemistry
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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom