Dimeric interactions and complex formation using direct coevolutionary couplings
| dc.citation.journalTitle | Scientific Reports | en_US |
| dc.citation.volumeNumber | 5 | en_US |
| dc.contributor.author | dos Santos, Ricardo N. | en_US |
| dc.contributor.author | Morcos, Faruck | en_US |
| dc.contributor.author | Jana, Biman | en_US |
| dc.contributor.author | Andricopulo, Adriano D. | en_US |
| dc.contributor.author | Onuchic, José N. | en_US |
| dc.contributor.org | Center for Theoretical Biological Physics | en_US |
| dc.date.accessioned | 2015-10-13T17:56:50Z | en_US |
| dc.date.available | 2015-10-13T17:56:50Z | en_US |
| dc.date.issued | 2015 | en_US |
| dc.description.abstract | We develop a procedure to characterize the association of protein structures into homodimers using coevolutionary couplings extracted from Direct Coupling Analysis (DCA) in combination with Structure Based Models (SBM). Identification of dimerization contacts using DCA is more challenging than intradomain contacts since direct couplings are mixed with monomeric contacts. Therefore a systematic way to extract dimerization signals has been elusive. We provide evidence that the prediction of homodimeric complexes is possible with high accuracy for all the cases we studied which have rich sequence information. For the most accurate conformations of the structurally diverse dimeric complexes studied the mean and interfacial RMSDs are 1.95Å and 1.44Å, respectively. This methodology is also able to identify distinct dimerization conformations as for the case of the family of response regulators, which dimerize upon activation. The identification of dimeric complexes can provide interesting molecular insights in the construction of large oligomeric complexes and be useful in the study of aggregation related diseases like Alzheimer’s or Parkinson’s. | en_US |
| dc.identifier.citation | dos Santos, Ricardo N., Morcos, Faruck, Jana, Biman, et al.. "Dimeric interactions and complex formation using direct coevolutionary couplings." <i>Scientific Reports,</i> 5, (2015) Nature Publishing Group: http://dx.doi.org/10.1038/srep13652. | en_US |
| dc.identifier.doi | http://dx.doi.org/10.1038/srep13652 | en_US |
| dc.identifier.uri | https://hdl.handle.net/1911/81880 | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Nature Publishing Group | en_US |
| dc.rights | This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. | en_US |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | en_US |
| dc.title | Dimeric interactions and complex formation using direct coevolutionary couplings | en_US |
| dc.type | Journal article | en_US |
| dc.type.dcmi | Text | en_US |
| dc.type.publication | publisher version | en_US |