Structure-based mutation analysis ARSA

Preparation

Visualization with Pymol

Pymol visualization of ARSA (with closed gaps). The active site is depicted in yellow, metal-binding site in blue, substrate binding sites in green and missense mutations in red.

Nr.	mutation	position	Pymol image	Description	Effect on function
1	Asp-Asn	29		The mutation is located at the position of a metal-binding site.	harmful
2	Pro - Ala	136		The mutation is located near the active site and a substrate binding site in sequence as well as in structure.	harmful
3	Gln-His	153		The mutation is located near the active site and a substrate binding site in sequence as well as in structure.	harmful
4	Trp-Cys	193		The mutation is at moderate distance to all important functional sites of the protein.	neutral
5	Thr-Met	274		The mutation is located very distant from the active site and a substrate binding site in sequence as well as in structure. It is located within a beta sheet.	harmful
6	Phe -Val	356		The mutation is at moderate distance to all important functional sites of the protein.	neutral
7	Thr-Ile	409		The mutation is not close to important functional sites.	harmful
8	Asn-Ser	440		The mutation is very distant from all functional sites.	neutral
9	Cys-Gly	489		The mutation is very distant from all functional sites.	harmful
10	Arg-His	496		The mutation is very distant from all functional sites.	harmful

Above visualizations indicate, that mutations near functional important sites of the protein are likely to cause a harmful effect. However, for distant mutations no trend can be observed.

BLA

repairPDB arsa_model.pdb -seq > arsa.model.seq
tr '[:upper:]' '[:lower:]' < arsa.model.seq > arsa.model.lower.seq