Integrative approach for computationally inferring interactions between the alpha and beta subunits of the calcium-activated potassium channel (BK): A docking study

Janneth González, Angela Gálvez, Ludis Morales, George E. Barreto, Francisco Capani, Omar Sierra, Yolima Torres

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)73-82
Number of pages10
JournalBioinformatics and Biology Insights
Volume7
DOIs
Publication statusPublished - 2013

Keywords

  • Binding energy
  • Docking
  • Moelcular interactions
  • Potassium channel

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