“In Silico” Characterization of 3-Phytase A and 3-Phytase B from Aspergillus niger

Table 6

Results of lower docking energies between 3-phytase A and the A chain of 3-phytase B versus phytic acid, obtained with the Autodock program.

Classification	Energy (kcal/mol)	Number of hydrogen bonds formed	AA involved
Docking energy between 3-phytase A and phytic acid
First	−6.3	8	, , , , , , ,
Second	−6.2	7	Tyr28, , , , , ,
Third	−6.0	7	Tyr28, , , , Lys277, Lys278, Asn340
Fourth	−6.0	5	Tyr28, , , , Lys278
Fifth	−5.9	8	, , , Lys278, His282, , Asn340, Asn340
Docking energy between 3-phytase B chain A and phytic acid
First	−6.4	3	, , Tyr276
Second	−6.4	4	, , Ser69, Ser71
Third	−6.3	6	, Ser71, Try154, , , Asn275
Fourth	−6.1	3	Asn33, Ser69, Tyr276
Fifth	−5.9	4	Asn33, Glu272, Asn275, Tyr276