Name
Abstract | ||
|---|---|---|
Transmembrane β-barrels exist in the outer membrane of gram-negative bacteria as well as in chloroplast and mitochondria. They are often involved in transport processes and are promising antimicrobial drug targets. Structures of only a few β-barrel protein families are known. Therefore, a method that could automatically generate such models would be valuable. The symmetrical arrangement of the barrels suggests that an approach based on idealized geometries may be successful.Here, we present tobmodel; a method for generating 3D models of β-barrel transmembrane proteins. First, alternative topologies are obtained from the BOCTOPUS topology predictor. Thereafter, several 3D models are constructed by using different angles of the β-sheets. Finally, the best model is selected based on agreement with a novel predictor, ZPRED3, which predicts the distance from the center of the membrane for each residue, i.e. the Z-coordinate. The Z-coordinate prediction has an average error of 1.61 Å. Tobmodel predicts the correct topology for 75% of the proteins in the dataset which is a slight improvement over BOCTOPUS alone. More importantly, however, tobmodel provides a Cα template with an average RMSD of 7.24 Å from the native structure.Tobmodel is freely available as a web server at: http://tobmodel.cbr.su.se/. The datasets used for training and evaluations are also available from this site. |
Year | DOI | Venue |
|---|---|---|
2012 | 10.1093/bioinformatics/bts233 | Bioinformatics |
Keywords | DocType | Volume |
barrel protein family,z-coordinate prediction,ranking model,alternative topology,novel predictor,average rmsd,correct topology,boctopus topology predictor,average error,present tobmodel,barrel transmembrane protein | Journal | 28 |
Issue | ISSN | Citations |
12 | 1367-4811 | 1 |
PageRank | References | Authors |
0.40 | 12 | 2 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Sikander Hayat | 1 | 81 | 5.84 |
| Arne Elofsson | 2 | 633 | 56.98 |