Table 3. Protein-ligand interactions of two cofactors with AtNTR_CC and AtNTR_AC.

Protein	Ligand	Protein-ligand interactions
		Hydrogen bonds	Hydrophobic contacts	Pi interaction
AtNTR_CC (subunit B)	OxFAD	S24, A27, G55, Q57, A126, A306, Q305	I22, F45, P54, T60, V64, E97, A129, T130, T173, H259, L265, G296	G23 (sigma), NADP+ (pi)
	NADP+	T173, R304, Q305	V64, V192, L197, G258	R37 (subunit A; cation), R194 (cation), OxFAD (pi)
AtNTR_AC (subunit A)	OxFAD	Q47, S116, T117	V11, G12, G36, L48, T52, V54, F60, I69, F73, V89, V120, H254	F57 (pi)
	NADP+	N56, S167, H254, A301	-	R188 (cation)