Glucocerebrosidase homology modelling

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Revision as of 12:21, 11 June 2011 by Braunt (talk | contribs) (MODELLER)

Homologous Structures

The 10 best results of the sequence search with HHSearch (as retrieved in Task 1) are listed in the table below.

> 60% sequence identity
PDB-ID name organism identity template
2nt0 Glucosylceramidase Homo Sapiens 99%
> 40% sequence identity
PDB-ID name organism identity template
> 0% sequence identity
PDB-ID name organism identity template
2wnw SrfJ Salmonella enterica subsp. enterica 29% x
3clw conserved exported protein Bacteroides fragilis 13%
3kl0 Glucuronoxylan Xylanohydrolase Bacillus subtilis 18% x
1nof xylanase Erwinia chrysanthemi 18%
2e4t Endoglucanase Clostridium thermocellum 11% x
3ii1 Cellulase Uncultured bacterium 15%
1qw9 Arabinosidase Geobacillus stearothermophilus 13%
1ik2 Endoglucanase Clostridium acetobutylicum 12 %
2c7f alpha-L-Arabinofuranosidase Clostridium thermocellum 16%

MODELLER

MODELLER is a method for comparative protein structure modelling, provided by satisfaction of spatial restraints. In the simplest case, the most probable structure for a given sequence can be found based on its alignment with related structures. Additional to model building, MODELLER can perform several other tasks including fold assignment, pairwise/ multiple alignments of protein sequences, calculation of phylogenetic trees, and de novo modeling of loops in protein structures. The method was published by Sali and Blundell in 1993. <ref>A. Sali & T.L. Blundell. Comparative protein modelling by satisfaction of spatial restraints. J. Mol. Biol. 234, 779-815, 1993.</ref>

Usage

Results

Analysis

iTasser

Results

Analysis

SWISS-MODEL

SWISS-MODEL workspace was published by Arnold et al. in 2005. <ref> Arnold K., Bordoli L., Kopp J., and Schwede T. (2006). The SWISS-MODEL Workspace: A web-based environment for protein structure homology modelling. Bioinformatics, 22,195-201.</ref>


Results

Using the standard output alignment of ClustalW2, the workunit of Swiss-Model got aborted: too many unfruitful attempts to rebuild a loop were tried. This indicates, that the alignment is not good and that it has to be adjusted.

Analysis

References

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