Probing of the plasticity of the active site in pinene synthase elucidates its potential evolutionary mechanism Author Xu, Jingwei * Author Peng, Guanzu Author Xu, Jinkun Author Li, Yi Author Tong, Li Author Yang, Dong text Phytochemistry 2021 112573 2021-01-31 181 1 10 http://dx.doi.org/10.1016/j.phytochem.2020.112573 journal article 264451 10.1016/j.phytochem.2020.112573 fb0d07d1-7452-47d9-9597-c8d789d0b85d 1873-3700 8291066

Table 1 Major products (%±SD) of WT α- pinene synthase and enzymes with mutations.

Enzymes	Relative Proportion of Products (%)
	Unknown	α- pinene	sabinene	limonene	Unknown	Unknown	Activity(% WT)
	RT = 4.52	RT = 7.05	RT = 8.55	RT = 11.05	RT = 11.58	RT = 12.72
PS-WT	0.31 ± 0.02	97.86 ± 0.21	0.96 ± 0.00	0.26 ± 0.01	0.54 ± 0.05	0.07 ± 0.00	100
F482A	0.05 ± 0.00	4.43 ± 0.03	93.21 ± 0.06	1.59 ± 0.05	0.72 ± 0.03	0.00 ± 0.00	46.63 ± 4.47
S491A	0.46 ± 0.01	97.28 ± 0.09	1.14 ± 0.00	0.12 ± 0.00	0.99 ± 0.06	0.00 ± 0.00	128.90 ± 4.19
F482I	1.27 ± 0.02	3.17 ± 0.08	92.35 ± 0.21	0.66 ± 0.09	2.33 ± 0.08	0.23 ± 0.00	18.36 ± 2.51
F482L	0.96 ± 0.06	2.03 ± 0.03	94.26 ± 0.30	0.31 ± 0.01	1.91 ± 0.17	0.29 ± 0.01	49.98 ± 39.78
F482V	1.03 ± 0.01	2.12 ± 0.03	94.51 ± 0.07	0.30 ± 0.03	1.82 ± 0.06	0.23 ± 0.00	29.50 ± 12.39
F482T	0.00 ± 0.00	3.53 ± 0.00	93.91 ± 0.00	1.64 ± 0.04	0.92 ± 0.05	0.00 ± 0.00	52.69 ± 3.17
F482Y	0.00	2.71	31.00	63.61	2.68	0.00	0.62
F482R	17.62 ± 6.21	0.00 ± 0.00	18.96 ± 7.19	31.04 ± 19.27	27.33 ± 14.94	5.05 ± 0.51	1.28 ± 0.01
F482W	16.32 ± 5.33	0.00 ± 0.00	29.92 ± 17.90	21.67 ± 6.84	27.35 ± 14.96	4.74 ± 0.45	1.54 ± 0.02
I335A	3.52 ± 0.02	78.00 ± 0.03	12.94 ± 0.00	0.57 ± 0.02	4.28 ± 0.03	0.67 ± 0.00	54.36 ± 2.17
F482A/S491A	1.34 ± 0.11	4.17 ± 0.01	88.40 ± 1.43	3.38 ± 0.14	2.36 ± 0.34	0.35 ± 0.01	18.73 ± 0.13
F482I/S491A	0.63 ± 0.02	2.72 ± 0.00	92.88 ± 0.45	2.40 ± 0.09	1.19 ± 0.08	0.18 ± 0.00	28.74 ± 5.73