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

Table 4

Distances between lysines and acidic or basic residues in the 3D structure of 3-phytase A and the chain A of 3-phytase B and their relation with the prediction of possible glycation sites.

Lysine position	Acid residue distance: Å	Basic residue distance: Å	Glycation prediction
			Netglycate 1.0 [16]	[17]
3-Phytase A (ID: 3K4Q)
68	Lys68-Glu205: 8.26	Lys68-Lys70: 6.51	X	X
70	Lys70-Asp66: 4.09	Lys70-Lys71: 9.05; Lys70-Lys68: 6.51		X
71	Lys71-Glu233: 9.89		X	X
89	Lys89-Asp223: 5.68		X	X
94	Acid residue location > 13.98	Basic residues location > 13.06	—	—
119	Lys119-Asp405: 4.21; Lys119-Asp12: 4.27			X
148		Lys148-Lys149: 9.73		X
149	Lys149-Glu152: 4.52		X	X
158	Lys158-Asp161: 7.65		X	X
160	Lys160-Asp161: 9.97		X	X
172	Lys172-Asp174: 4.50		X	X
254	Lys254-Asp244: 9.84			X
277	Lys277-Asp239: 7.30; Lys277-Asp202: 9.16; Lys277-Glu205: 4.28	Lys277-Lys68: 7.84; Lys277-Lys278: 6.72		X
278		Lys278-Lys277: 6.72; Lys278-His282: 6.51		X
356	Lys356-Asp370: 8.5; Lys356-Glu364: 9.83			X
TOTAL			7	14
Chain A of 3-phytase B (ID: 1QFX)
14	Lys14-Glu19: 8.26		X	X
28	Lys28-Glu38: 8.55; Lys28-Asp22: 6.95	Lys28-His29: 8.6		X
61	Lys61-Asp125: 6.56	Lys61-His360: 4.63; Lys61-His129: 4.40		X
74	Lys74-Glu77: 9.04; Lys74-Glu78: 4.51; Lys74-Asp75: 5.95			X
82	Lys82-Glu78: 9.46; Lys82-Asp236: 4.15			X
92	Lys92-Glu90: 4.61			X
134		Lys134-His139: 9.21		X
163	Lys163-Glu159: 8.49; Lys163-Glu166: 4.74	Lys163-Arg447: 9.84		X
217	Acid residues location > 11.97	Basic residues location > 13.15	—	—
285	Lys285-Glu284: 7.35			X
307	Lys307-Glu308: 9.81		X	X
413	Acid residues location > 29.31	Basic residues location > 23.84	X
Total			3	10