Gaucher Disease: Task 09 - Lab Journal

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Revision as of 14:22, 28 August 2013 by Kalemanovm (talk | contribs) (1. Choose a structure to work with)

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This page is under construction.

Preparation

1. Choose a structure to work with

In the former tasks, we worked with the reference structure 1OGS, because it has no gaps - but an offset of 39 residues at the N terminus, as all structures for our protein P04062 referenced in UniProt - and has a pretty low resolution of 2.0 Å. However, there are four other structures with a lower resolution (all resolved using the X-ray diffraction method). We compare 1OGS and those four structures for the resolution, coverage and gaps, R-factor, R-free and pH-value at which the structure was resolved in the following table.

<figtable id="structure_choice">

PDB-ID Resolution (Å) Chain Positions Gaps R-factor(obs.) R-free pH Temperature (Kelvin)
1OGS 2.0 A-/B 40-536 no 0.195 0.230 4.6 100
2NT0 1.79 A/B/C/D 40-536 Gaps 0.181 0.215 4.5 100
PDB-ID Resolution (Å) Chain 40-536 Gaps R-factor R-free pH
PDB-ID Resolution (Å) Chain 40-536 Gaps R-factor R-free pH
PDB-ID Resolution (Å) Chain 40-536 Gaps R-factor R-free pH
Comparison of the resolution top five PDB structures according to different other criteria.

</figtable>

2. Visualise the mutations you want to work with

3. Create mutated structures

Energy comparisons

foldX

Minimise

Gromacs (optional task for those who love MD!)