To provide a new mutant of a drug metabolism type CYP protein and its crystal and to provide a method for using or screening a stereostructure thereof in search of medicines.
The CYP2C9 mutant protein forming a conjugate with a candidate compound known to undergo a hydroxylation reaction with the CYP2C9 protein and providing the crystal having the stereostructure expressing an actual enzymatic chemical reaction mechanism is disclosed. Furthermore, various media and computer systems recording structural data of the crystal of the protein are disclosed. In addition, the method for screening using the computer systems programmed so as to compute the ability to form the conjugate of a chemical modification of the candidate compound and a method for screening a crystallizable solubilized protein using structural coordinates data of a conjugate crystal of the protein with the candidate compound are disclosed.
YAMAGUCHI TOMOHIKO
AMANO YASUSHI
Emiko Yano