Determine ΔG° of deprotonation for Cys 178 and for the standard Cys (pKa = 8.2). Then use these to determine, ΔΔG°, which is the change in the standard Gibbs energy of deprotonation due to the environment in the enzyme, relative to water.
Step(I)
Using the formula
PKa = -log Ka
Where Ka is dissociation constants of Cys 178
PKa = 8.2
Putting the all value in the formula
8.2 = -logKa
Ka = 10-8.2 = 6.3097×10-9
step(ll)
Formula of ∆G
∆G° = -RTlnKa = 2.303RTlogKa
where ∆G° = Gibbs free energy
R = gas constant = 8.314 J/(mol-K)
T = Temperature = environment temperature = (25+273)K = 298K
∆G° = -(2.303)(8.314J/mol-K)(298K)log(6.3097×10-9)
∆G°= -{5705.84×(-8.2)}
∆G° = 46787.96J/mol
∆G°= 46.78796×103J/mol
∆G°= 46.788kJ/mol
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