This technology is a computational pipeline which predicts arginine substitutions in a protein at select lysine sites to improve protein crystallization efficiency.
Protein crystallization is a critical step for elucidating protein structures and drug-target interactions by X-ray crystallography. However, only 9.8% of expressed proteins generate crystals of sufficient size and quality for X-ray screening. There are currently no reproducible methods for crystallizing recalcitrant proteins.
This technology describes a computational pipeline which identifies lysine sites in recalcitrant proteins that can be substituted for arginine to improve crystallization. This technology identifies arginine substitutions at favorable sites which conserve protein structures. This method allows for a two week turn-around time from protein expression to a crystal structure, significantly reducing the amount of time it would typically take for a recalcitrant protein structure to be resolved.
This technology has been validated on two publicly available protein structures and one protein without a publicly available protein structure.
Patent Pending
IR CU23101