NMR solution structure of a DNA minidumbbell containing an abasic bulge between two CCTG repeats
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:DC2:O2 | 2:NA1:NA |
2 | metal coordination | sing | 1:DC2:OP1 | 2:NA1:NA |
3 | metal coordination | sing | 1:DC2:OP2 | 2:NA1:NA |
4 | metal coordination | sing | 1:DT3:OP1 | 2:NA1:NA |
5 | metal coordination | sing | 1:DG4:OP1 | 2:NA1:NA |
6 | metal coordination | sing | 1:DG4:OP2 | 2:NA1:NA |
7 | metal coordination | sing | 1:3DR5:OP1 | 2:NA1:NA |
8 | metal coordination | sing | 1:3DR5:OP2 | 2:NA1:NA |
9 | metal coordination | sing | 1:DC6:OP1 | 2:NA1:NA |
10 | metal coordination | sing | 1:DC6:O2 | 2:NA1:NA |
11 | metal coordination | sing | 1:DC6:OP2 | 2:NA1:NA |
12 | metal coordination | sing | 1:DC7:O2 | 2:NA1:NA |
13 | metal coordination | sing | 1:DC7:OP1 | 2:NA1:NA |
14 | metal coordination | sing | 1:DC7:O4' | 2:NA1:NA |
15 | metal coordination | sing | 1:DC7:OP2 | 2:NA1:NA |
16 | metal coordination | sing | 1:DT8:OP1 | 2:NA1:NA |
17 | metal coordination | sing | 1:DG9:OP1 | 2:NA1:NA |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DC | H1' | H | 6.07 | 0.02 | 1 |
2 | 1 | 1 | DC | H2' | H | 1.93 | 0.02 | 1 |
3 | 1 | 1 | DC | H2'' | H | 2.40 | 0.02 | 1 |
4 | 1 | 1 | DC | H3' | H | 4.76 | 0.02 | 1 |
5 | 1 | 1 | DC | H4' | H | 4.32 | 0.02 | 1 |
6 | 1 | 1 | DC | H5 | H | 5.53 | 0.02 | 1 |
7 | 1 | 1 | DC | H5' | H | 3.88 | 0.02 | 1 |
8 | 1 | 1 | DC | H5'' | H | 3.88 | 0.02 | 1 |
9 | 1 | 1 | DC | H6 | H | 7.58 | 0.02 | 1 |
10 | 1 | 1 | DC | H41 | H | 8.45 | 0.02 | 1 |
11 | 1 | 1 | DC | H42 | H | 6.83 | 0.02 | 1 |
12 | 1 | 2 | DC | H1' | H | 6.50 | 0.02 | 1 |
13 | 1 | 2 | DC | H2' | H | 2.11 | 0.02 | 1 |
14 | 1 | 2 | DC | H2'' | H | 2.53 | 0.02 | 1 |
15 | 1 | 2 | DC | H3' | H | 4.85 | 0.02 | 1 |
16 | 1 | 2 | DC | H4' | H | 4.46 | 0.02 | 1 |
17 | 1 | 2 | DC | H5 | H | 6.23 | 0.02 | 1 |
18 | 1 | 2 | DC | H5' | H | 4.26 | 0.02 | 1 |
19 | 1 | 2 | DC | H5'' | H | 4.11 | 0.02 | 1 |
20 | 1 | 2 | DC | H6 | H | 8.19 | 0.02 | 1 |
21 | 1 | 3 | DT | H1' | H | 5.63 | 0.02 | 1 |
22 | 1 | 3 | DT | H2' | H | 1.86 | 0.02 | 1 |
23 | 1 | 3 | DT | H2'' | H | 2.14 | 0.02 | 1 |
24 | 1 | 3 | DT | H3' | H | 4.69 | 0.02 | 1 |
25 | 1 | 3 | DT | H4' | H | 3.80 | 0.02 | 1 |
26 | 1 | 3 | DT | H5' | H | 3.95 | 0.02 | 1 |
27 | 1 | 3 | DT | H5'' | H | 4.09 | 0.02 | 1 |
28 | 1 | 3 | DT | H6 | H | 7.71 | 0.02 | 1 |
29 | 1 | 3 | DT | H71 | H | 1.40 | 0.02 | 1 |
30 | 1 | 3 | DT | H72 | H | 1.40 | 0.02 | 1 |
31 | 1 | 3 | DT | H73 | H | 1.40 | 0.02 | 1 |
32 | 1 | 4 | DG | H1 | H | 13.24 | 0.02 | 1 |
33 | 1 | 4 | DG | H1' | H | 6.02 | 0.02 | 1 |
34 | 1 | 4 | DG | H2' | H | 2.86 | 0.02 | 1 |
35 | 1 | 4 | DG | H2'' | H | 2.86 | 0.02 | 1 |
36 | 1 | 4 | DG | H3' | H | 5.02 | 0.02 | 1 |
37 | 1 | 4 | DG | H4' | H | 4.3 | 0.02 | 1 |
38 | 1 | 4 | DG | H5' | H | 4.06 | 0.02 | 1 |
39 | 1 | 4 | DG | H5'' | H | 3.61 | 0.02 | 1 |
40 | 1 | 4 | DG | H8 | H | 7.82 | 0.02 | 1 |
41 | 1 | 4 | DG | H21 | H | 8.93 | 0.02 | 1 |
42 | 1 | 4 | DG | H22 | H | 5.82 | 0.02 | 1 |
43 | 1 | 5 | 3DR | H1'1 | H | 4.14 | 0.02 | 1 |
44 | 1 | 5 | 3DR | H1'2 | H | 4.07 | 0.02 | 1 |
45 | 1 | 5 | 3DR | H2' | H | 2.29 | 0.02 | 1 |
46 | 1 | 5 | 3DR | H2'' | H | 2.19 | 0.02 | 1 |
47 | 1 | 5 | 3DR | H3' | H | 4.67 | 0.02 | 1 |
48 | 1 | 5 | 3DR | H4'1 | H | 4.19 | 0.02 | 1 |
49 | 1 | 5 | 3DR | H5' | H | 4.06 | 0.02 | 1 |
50 | 1 | 5 | 3DR | H5'' | H | 3.92 | 0.02 | 1 |
51 | 1 | 6 | DC | H1' | H | 6.13 | 0.02 | 1 |
52 | 1 | 6 | DC | H2' | H | 1.94 | 0.02 | 1 |
53 | 1 | 6 | DC | H2'' | H | 2.32 | 0.02 | 1 |
54 | 1 | 6 | DC | H3' | H | 4.88 | 0.02 | 1 |
55 | 1 | 6 | DC | H4' | H | 4.48 | 0.02 | 1 |
56 | 1 | 6 | DC | H5 | H | 5.57 | 0.02 | 1 |
57 | 1 | 6 | DC | H5' | H | 4.11 | 0.02 | 1 |
58 | 1 | 6 | DC | H5'' | H | 4.14 | 0.02 | 1 |
59 | 1 | 6 | DC | H6 | H | 7.46 | 0.02 | 1 |
60 | 1 | 6 | DC | H41 | H | 8.37 | 0.02 | 1 |
61 | 1 | 6 | DC | H42 | H | 6.89 | 0.02 | 1 |
62 | 1 | 7 | DC | H1' | H | 6.51 | 0.02 | 1 |
63 | 1 | 7 | DC | H2' | H | 2.09 | 0.02 | 1 |
64 | 1 | 7 | DC | H2'' | H | 2.52 | 0.02 | 1 |
65 | 1 | 7 | DC | H3' | H | 4.88 | 0.02 | 1 |
66 | 1 | 7 | DC | H4' | H | 4.48 | 0.02 | 1 |
67 | 1 | 7 | DC | H5 | H | 6.27 | 0.02 | 1 |
68 | 1 | 7 | DC | H5' | H | 4.30 | 0.02 | 1 |
69 | 1 | 7 | DC | H5'' | H | 4.12 | 0.02 | 1 |
70 | 1 | 7 | DC | H6 | H | 8.25 | 0.02 | 1 |
71 | 1 | 8 | DT | H1' | H | 5.59 | 0.02 | 1 |
72 | 1 | 8 | DT | H2' | H | 1.87 | 0.02 | 1 |
73 | 1 | 8 | DT | H2'' | H | 2.13 | 0.02 | 1 |
74 | 1 | 8 | DT | H3' | H | 4.69 | 0.02 | 1 |
75 | 1 | 8 | DT | H4' | H | 3.87 | 0.02 | 1 |
76 | 1 | 8 | DT | H5' | H | 3.94 | 0.02 | 1 |
77 | 1 | 8 | DT | H5'' | H | 4.09 | 0.02 | 1 |
78 | 1 | 8 | DT | H6 | H | 7.67 | 0.02 | 1 |
79 | 1 | 8 | DT | H71 | H | 1.37 | 0.02 | 1 |
80 | 1 | 8 | DT | H72 | H | 1.37 | 0.02 | 1 |
81 | 1 | 8 | DT | H73 | H | 1.37 | 0.02 | 1 |
82 | 1 | 9 | DG | H1 | H | 13.25 | 0.02 | 1 |
83 | 1 | 9 | DG | H1' | H | 5.96 | 0.02 | 1 |
84 | 1 | 9 | DG | H2' | H | 2.86 | 0.02 | 1 |
85 | 1 | 9 | DG | H2'' | H | 2.63 | 0.02 | 1 |
86 | 1 | 9 | DG | H3' | H | 4.67 | 0.02 | 1 |
87 | 1 | 9 | DG | H4' | H | 4.12 | 0.02 | 1 |
88 | 1 | 9 | DG | H5' | H | 3.99 | 0.02 | 1 |
89 | 1 | 9 | DG | H5'' | H | 3.57 | 0.02 | 1 |
90 | 1 | 9 | DG | H8 | H | 7.80 | 0.02 | 1 |
91 | 1 | 9 | DG | H21 | H | 8.93 | 0.02 | 1 |
92 | 1 | 9 | DG | H22 | H | 5.95 | 0.02 | 1 |