. Author manuscript; available in PMC: 2018 Nov 15.

Published in final edited form as: J Phys Chem B. 2017 Jul 5;121(28):6831–6840. doi: 10.1021/acs.jpcb.7b04562

Table 2.

Observed and Calculated k_cat (s⁻¹) and K_M (M) Value for Substrate-Protein Complexes^a

mutation	k_cat(obs)	k_cat(cal)	K_M(obs)	K_M(cal)	(k_cat/K_m) (obs)	(k_cat/K_m) (cal)
WT	0.53	0.29	2.7 × 10⁻⁷	1.03 × 10⁻⁷	1.9 × 10⁶	2.82 × 10⁶
R155K	–	0.29	8.5 × 10⁻⁷	1.08 × 10⁻⁷	–	2.68 × 10⁶
R155Q	0.1	0.67	8.5 × 10⁻⁷	2.77 × 10⁻⁷	1.18 × 10⁵	2.43 × 10⁶
A156T	0.74	0.09	3.2 × 10⁻⁷	5.52 × 10⁻⁷	2.3 × 10⁶	1.63 × 10⁵
D168A	0.3	0.34	2.0 × 10⁻⁶	6.75 × 10⁻⁷	1.5 × 10⁵	5.10 × 10⁵
D168V	0.55	0.21	2.0 × 10⁻⁷	2.81 × 10⁻⁶	2.8 × 10⁶	7.40 × 10⁴

All observed values are from refs 54 and 55.