Discovery of Azurin-Like Anticancer Bacteriocins from Human Gut Microbiome through Homology Modeling and Molecular Docking against the Tumor Suppressor p53
Table 2
Binding interface properties of 14 bacteriocin models in complex with p53 DBD and comparison with p28-azurin and azurin. The models that have similar binding site with p28-azurin and azurin are shown in bold font.
Number
Sequence ID
Size
Same amino acids in binding interface (compared with p28-azurin)
Same amino acids in binding interface (compared with azurin)
Percentage of polar and nonpolar atoms present in the binding interface of bacteriocin (%)
Percentage of polar and nonpolar atoms present in the binding interface of p53 DBD (%)
(number)
(%)
(number)
(%)
Polar
Nonpolar
Polar
Nonpolar
1
p1seq09
35
16
53.33
7
28.00
50.00
50.00
60.00
40.00
2
p1seq16
212
16
53.33
20
80.00
60.70
39.30
62.75
37.25
3
p2seq05
262
17
56.67
22
88.00
52.24
47.76
55.00
45.00
4
p2seq08
71
10
33.33
16
64.00
52.17
47.83
61.29
38.71
5
p2seq14
35
0
0.00
0
0.00
52.38
47.62
64.29
35.71
6
p2seq18
84
0
0.00
0
0.00
55.56
44.44
63.64
36.36
7
p2seq20
41
8
26.67
20
80.00
50.00
50.00
64.52
35.48
8
p2seq32
354
0
0.00
0
0.00
57.50
42.50
51.85
48.15
9
p2seq33
357
0
0.00
4
16.00
58.33
41.67
55.17
44.83
10
p3seq02
31
16
53.33
8
32.00
47.37
52.63
57.69
42.31
11
p3seq04
31
0
0.00
0
0.00
55.56
44.44
64.29
35.71
12
p3seq16
53
0
0.00
0
0.00
45.00
55.00
54.55
45.45
13
p3seq17
69
11
36.67
23
92.00
54.17
45.83
59.38
40.62
14
p3seq24
77
14
46.67
7
28.00
42.86
57.14
59.09
40.91
(a) The number of amino acids (b) The number of amino acids present in the binding interface of p53 DBD that are found in both complexes: p53 DBD/bacteriocin and p53 DBD/p28-azurin. The percentage indicates the percent of this number over the total number of amino acids in the binding interface of p53 DBD/p28-azurin. (c) The number of amino acids present in the binding interface of p53 DBD that are found in both complexes: p53 DBD/bacteriocin and p53 DBD/azurin. The percentage indicates the percent of this number over the total number of amino acids in the binding interface of p53 DBD/azurin.
