Table 2.
Region | WT | D99L | Y14F | Y14F/D99L |
---|---|---|---|---|
Entire enzyme | 0.54 | 0.65 | 0.68 | 0.55 |
Active sitea | 0.26 | 0.33 | 0.30 | 0.27 |
Tyr88 to Lys92 | 1.12 | 1.74 | 1.62 | 1.08 |
The active site region consisted of all residues containing an atom within 5Å of the substrate C4 atom or any atom of Tyr14 or Asp99.
All RMSD values were calculated for backbone atoms using the VMD program and are given in Å.
The six thermally averaged structures are the reactant, transition state, and product for both proton transfer steps.