## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
212 |
55 |
14570 |
◊ |
A |
x,y,z |
1_555 |
210 |
55 |
14586 |
2129.5 |
-5.3 |
0.451 |
35 |
14 |
0 |
0.094 |
2 |
2 |
|
B |
74 |
22 |
14570 |
◊ |
B |
-x,y,-z |
3_555 |
74 |
22 |
14570 |
686.2 |
4.4 |
0.841 |
12 |
12 |
0 |
0.009 |
3 |
3 |
|
[ATP]A:1410 |
31 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
55 |
25 |
14586 |
401.6 |
-2.9 |
0.404 |
9 |
0 |
0 |
0.059 |
4 |
|
[ATP]B:2410 |
31 |
1 |
630 |
f |
B |
x,y,z |
1_555 |
58 |
25 |
14570 |
400.7 |
-2.6 |
0.409 |
11 |
0 |
0 |
0.059 |
Average: |
401.1 |
-2.7 |
0.406 |
10 |
0 |
0 |
0.059 |
4 |
5 |
|
A |
44 |
13 |
14586 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
39 |
15 |
14570 |
371.9 |
-0.1 |
0.576 |
7 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
21 |
6 |
14570 |
◊ |
A |
-x,-y,z |
2_555 |
20 |
5 |
14586 |
196.0 |
3.3 |
0.889 |
5 |
6 |
0 |
0.000 |
6 |
7 |
|
[MPD]A:1013 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
14586 |
191.0 |
-12.8 |
0.367 |
1 |
0 |
0 |
0.054 |
7 |
8 |
|
[MPD]B:1019 |
7 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
14570 |
190.4 |
-12.9 |
0.467 |
1 |
0 |
0 |
0.090 |
8 |
9 |
|
B |
19 |
7 |
14570 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
20 |
8 |
14586 |
164.1 |
1.5 |
0.760 |
2 |
2 |
0 |
0.000 |
9 |
10 |
|
[MPD]B:1031 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
14570 |
148.2 |
-9.0 |
0.550 |
1 |
0 |
0 |
0.064 |
10 |
11 |
|
[MPD]A:1011 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14586 |
146.3 |
-9.5 |
0.698 |
0 |
0 |
0 |
0.039 |
11 |
12 |
|
[MPD]B:1039 |
6 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
14570 |
143.4 |
-8.5 |
0.598 |
1 |
0 |
0 |
0.060 |
12 |
13 |
|
[MPD]A:1037 |
7 |
1 |
284 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
14586 |
139.0 |
-8.2 |
0.603 |
1 |
0 |
0 |
0.035 |
13 |
14 |
|
[MPD]B:1015 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
14570 |
128.2 |
-6.1 |
0.916 |
4 |
0 |
0 |
0.053 |
14 |
15 |
|
[MPD]B:1029 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14570 |
126.3 |
-7.7 |
0.575 |
1 |
0 |
0 |
0.055 |
15 |
16 |
|
[MPD]B:1021 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
14570 |
122.2 |
-6.6 |
0.828 |
2 |
0 |
0 |
0.050 |
16 |
17 |
|
[MPD]B:1025 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14570 |
119.9 |
-6.9 |
0.829 |
2 |
0 |
0 |
0.052 |
17 |
18 |
|
[MPD]B:1023 |
7 |
1 |
275 |
f |
B |
-x,y,-z |
3_555 |
19 |
5 |
14570 |
117.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.047 |
18 |
19 |
|
[PO4]B:1527 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
14570 |
111.2 |
-6.4 |
0.696 |
1 |
0 |
0 |
0.046 |
19 |
20 |
|
[PO4]A:1501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
14586 |
106.8 |
-6.8 |
0.618 |
0 |
0 |
0 |
0.028 |
20 |
21 |
|
[MPD]B:1041 |
6 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
14570 |
103.6 |
-5.8 |
0.698 |
1 |
0 |
0 |
0.042 |
21 |
22 |
|
[PO4]B:1517 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
14570 |
102.3 |
-5.9 |
0.740 |
0 |
0 |
0 |
0.039 |
22 |
23 |
|
[PO4]B:1503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
14570 |
85.2 |
-5.5 |
0.540 |
1 |
0 |
0 |
0.040 |
23 |
24 |
|
[MPD]B:1023 |
5 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
14570 |
80.9 |
-4.0 |
0.000 |
1 |
0 |
0 |
0.030 |
24 |
25 |
|
[PO4]A:1505 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
14586 |
79.5 |
-5.0 |
0.602 |
0 |
0 |
0 |
0.020 |
25 |
26 |
|
[MPD]A:1037 |
7 |
1 |
284 |
f |
[ATP]A:1410 |
x,y,z |
1_555 |
12 |
1 |
630 |
74.9 |
-5.1 |
0.647 |
0 |
0 |
0 |
0.021 |
26 |
27 |
|
A |
13 |
3 |
14586 |
◊ |
[MPD]B:1031 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
281 |
74.0 |
-4.7 |
0.530 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[MPD]B:1039 |
7 |
1 |
281 |
f |
[ATP]B:2410 |
x,y,z |
1_555 |
12 |
1 |
630 |
73.4 |
-4.9 |
0.643 |
0 |
0 |
0 |
0.033 |
28 |
29 |
|
[NA]A:1406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14586 |
53.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.065 |
30 |
|
[NA]B:2406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14570 |
51.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
52.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.065 |
29 |
31 |
|
[ATP]B:2410 |
7 |
1 |
630 |
f |
[NA]B:2406 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
32 |
|
[ATP]A:1410 |
7 |
1 |
630 |
f |
[NA]A:1406 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
39.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
30 |
33 |
|
[MPD]B:1021 |
4 |
1 |
276 |
f |
[MPD]B:1015 |
x,y,z |
1_555 |
2 |
1 |
281 |
39.4 |
-3.8 |
0.000 |
1 |
0 |
0 |
0.028 |
31 |
34 |
|
A |
5 |
2 |
14586 |
◊ |
[MPD]B:1029 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
279 |
38.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
A |
8 |
5 |
14586 |
◊ |
A |
-x,-y,z |
2_555 |
8 |
5 |
14586 |
32.7 |
0.9 |
0.772 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[MPD]B:1031 |
2 |
1 |
281 |
f |
[MPD]B:1019 |
x,y,z |
1_555 |
2 |
1 |
282 |
31.9 |
-3.1 |
0.990 |
0 |
0 |
0 |
0.021 |
34 |
37 |
|
[ATP]B:2410 |
4 |
1 |
630 |
f |
[MG]B:2404 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
38 |
|
[ATP]A:1410 |
4 |
1 |
630 |
f |
[MG]A:1404 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
31.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
35 |
39 |
|
[MG]B:2404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14570 |
30.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.024 |
40 |
|
[MG]A:1404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14586 |
29.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
30.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.024 |
36 |
41 |
|
[MPD]A:1037 |
5 |
1 |
284 |
f |
[MG]A:1404 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.034 |
42 |
|
[MPD]B:1039 |
5 |
1 |
281 |
f |
[MG]B:2404 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
27.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.034 |
37 |
43 |
|
[MPD]B:1029 |
2 |
1 |
279 |
f |
[PO4]B:1503 |
x,y,z |
1_555 |
4 |
1 |
187 |
24.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.015 |
38 |
44 |
|
[MPD]B:1025 |
2 |
1 |
275 |
◊ |
B |
-x,y,-z |
3_555 |
2 |
2 |
14570 |
19.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
39 |
45 |
|
A |
4 |
3 |
14586 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
2 |
14586 |
17.4 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
|