Canavan Disease: Task 04 - Structural Alignments

Structural Alignment Exploration

Pymol

2O4H vs. 2I3C

2O4H was found via the sequence search tab for the reference sequence 2I3C. The structure was chosen due to the fact that it is contained in the 100% sequence identity cluster. Additionally it has a bound compound in the active centre however it is not N-acetyl-L-aspartate, but N-Hydroxy(methyl)phosphoric-L-aspartate binding to the same active centre.

Due to the fact that 2O4H and 2I3C have 100% sequence identity, the structural alignment via Pymol works very accurate. Both structures are within the bounds of the accuracy of X-ray crystallography the same. The RMSD between 2OH4 and 2I3C, calculated by the alignment process of Pymol is 0.341Å. <figure id="2O4H_pymol">

Representation of 2OH4 aligned to 2I3C. Both structures are displayed as carton, 2OH4 in black, 2I3C in orange. The zinc atom at the active site is represented as grey sphere, and the N-Hydroxy(methyl)phosphoric-L-aspartate is represented as balls and sticks at the active site.

</figure>