Practical applications of structural biology
Motivation
An enzyme with a known primary sequence was experimentally shown to catalyze the hydrolytic dehalogenation of sulfur mustard (yperite). However, the activity of this enzyme does not meet the parameters for practical use.
Task
Propose, which resides are suitable for modification, so there is a high probability that the new construct will have an altered activity with sulfur mustard, and did not suffer from a marked loss of stability or enzyme function. Present the structure of the mutant in comparison to the wild type of the enzyme.
Procedure
- input sequence
- structure of the protein
- binding site
- structure of the protein-ligand complex
- residues interadcting with the ligand
- design of mutations
- evaluation of mutations
- picture comparing the protein-ligand complex of the wild type with the mutant