Journal of Amino Acids

Research Article

Long-Lasting Effects of Oxy- and Sulfoanalogues of L-Arginine on Enzyme Actions

Table 1

Fitness function values, interactions with the enzyme, total energies, and energies of binding with the α-carboxyl group of the compounds investigated.


Compound	Fitness function	Interactions with the enzyme

Arg	46.4	Two interactions between Glu130-Gu group and Asp326-Gu group and 2 interactions between Arg325-α-carboxyl group, Glu269-α-carboxyl group, Gly172-α-amino group

NCan	32.98	Glu130-oxyamino group, Asp326-α-amino group, and His353-α-carboxyl group

NCav	44.09	Two interactions between Glu130-oxyGu group, Tyr322, Asn135-α-carboxyl group, Tyr170, and Ser133-α-amino group

Cav	36.8	Two interactions between Glu130-oxyGu group, Tyr322, Asp135, Gly172-α-carboxyl group, and Leu171-α-amino group

NsArg	44.04	Glu130, Asp326-sulfoGu group, Asp326, Tyr344-sulfoGu group, Tyr322-SO₂ group, Ser133-α-amino group, Glu269, and Asn135-α-carboxyl group

sArg	46.78	Two interactions between Glu130-sulfoGu group, Tyr322-SO₂ group, Asp135, Gly172-α-carboxyl group, and Ser133-α-amino group