Exploring functionally related enzymes using radially distributed properties of active sites around the reacting points of bound ligands

Table 1 Effect of mutations on the physicochemical properties of active sites

UniProt	Ligand	RDF				SiteEngine
		Euclidean		1 – cosine		100 – match score
		w/w, m/m	w/m	w/w, m/m	w/m	w/w, m/m	w/m
CCPR_YEAST	HEM	198	195	0.0041	0.0041	30.7	24.5
CHOD_STRS0	FAD	222	358	0.0015	0.0039	51.9	59.4
FPRA_MYCTU	FAD	168	231	0.0039	0.0053	30.7	56.6
	NDP/ODP	228	340	0.0073	0.0147	38.2	74.4
FRDA_SHEFN	FAD	219	605	0.0054	0.0400	14.1	13.2
G3P_BACST	NAD	131	164	0.0017	0.0023	23.1	26.9
IDH_ECOLI	NAP	370	369	0.0357	0.0312	19.5	55.8
MDH_ECOLI	NAD	322	385	0.0023	0.0133	29.5	32.2
NIA1_MAIZE	FAD	163	300	0.0037	0.0132	25.0	37.2
OYE1_SACPS	FMN	201	224	0.0051	0.0064	34.3	40.3

The w/w and m/m columns show wild-type/wild-type or mutant/mutant pairs. The w/m columns show wild-type/mutant pairs. The results with statistically significant differences between the match and mismatch are shown in bold font. The statistical significance was assessed by Wilcoxon rank sum tests with a 5% significance level.

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