Difference between revisions of "Structure based mutation analysis of GBA"

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== Mutations ==
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== Mutation Mapping ==
   
 
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Revision as of 18:55, 29 June 2011

Introduction

Structure Selection

To carry out a structure-based analysis of the mutations chosen in Task 7 a crystal structure had to be chosen. According to Uniprot 19 different crystal structures of glucocerebrosidase exist. The table below shows the six different structures with a resolution of or better than 2 Angstrom. 2NT0 is chosen as template for the analysis carried out in this section, as no residues are missing, the R-value is quite low, and it has the best resolution among the structures without missing residues. Only incomplete structures have been resolved near the physiological pH (7.4), therefore a structure resolved at a more acid pH had to be chosen.


PDB ID Resolution [Å] R-factor Coverage pH Missing Residues (A/B)
1OGS 2.00 0.195 4.6 0
2NT0 1.79 0.181 . 4.5 0
2V3D 1.96 0.157 6.5 9/8
2V3E 2.00 0.163 7.5 7/7
2V3F 1.95 0.154 6.5 8/14
3GXI 1.84 0.193 NULL 0


Mutation Mapping

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SCWRL

Energy Calculation

FoldX

Minimise

Gromacs

Discussion