Table 2. Interactions between the inhibitors and PFKFB3.

Protein residue		Water	Inhibitor N4A	Type of interaction	Distance (Å)
Arg74	NE		O4	Hydrogen bond	2.9
	NH2		O5	Hydrogen bond	3.0
Asp124	O		O8	Hydrogen bond	3.5
Thr126	OG1		O1	Hydrogen bond	3.3
Arg132	NE		O4′	Hydrogen bond	2.2
Arg98			Phenol moiety	Cation-π interaction	5
Thr48	OG1	HOH38			3.3
Asp124	OD1	HOH38			3.2
		HOH38	O7	Water mediated interaction	2.3
Thr126	OG1	HOH97			3.5
Tyr193	OH	HOH97			2.2
		HOH97	O1	Water mediated interaction	2.6