Three-layered basket-type G-quadruplex from a G-rich sequence with five G-runs
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DA | H1' | H | 6.180 | 0.003 | 1 |
2 | 1 | 1 | DA | H2 | H | 7.773 | 0.006 | 1 |
3 | 1 | 1 | DA | H2' | H | 2.396 | 0.002 | 1 |
4 | 1 | 1 | DA | H2'' | H | 2.680 | 0.004 | 1 |
5 | 1 | 1 | DA | H3' | H | 4.827 | 0.001 | 1 |
6 | 1 | 1 | DA | H8 | H | 7.978 | 0.001 | 1 |
7 | 1 | 1 | DA | C8 | C | 140.895 | 1 | |
8 | 1 | 2 | DG | H1 | H | 11.531 | 0.005 | 1 |
9 | 1 | 2 | DG | H1' | H | 5.983 | 0.003 | 1 |
10 | 1 | 2 | DG | H2' | H | 3.881 | 0.004 | 1 |
11 | 1 | 2 | DG | H2'' | H | 3.161 | 0.004 | 1 |
12 | 1 | 2 | DG | H3' | H | 4.918 | 0.002 | 1 |
13 | 1 | 2 | DG | H8 | H | 7.208 | 0.002 | 1 |
14 | 1 | 2 | DG | C8 | C | 141.328 | 1 | |
15 | 1 | 4 | DG | H1 | H | 11.556 | 0.003 | 1 |
16 | 1 | 4 | DG | H1' | H | 6.107 | 0.005 | 1 |
17 | 1 | 4 | DG | H2' | H | 2.573 | 0.002 | 1 |
18 | 1 | 4 | DG | H2'' | H | 2.804 | 0.003 | 1 |
19 | 1 | 4 | DG | H3' | H | 4.915 | 0.001 | 1 |
20 | 1 | 4 | DG | H8 | H | 8.003 | 0.002 | 1 |
21 | 1 | 4 | DG | C5 | C | 116.850 | 1 | |
22 | 1 | 4 | DG | C8 | C | 138.467 | 1 | |
23 | 1 | 5 | DT | H1' | H | 5.136 | 0.002 | 1 |
24 | 1 | 5 | DT | H2' | H | 1.023 | 0.002 | 1 |
25 | 1 | 5 | DT | H2'' | H | 1.781 | 0.003 | 1 |
26 | 1 | 5 | DT | H3' | H | 4.376 | 0.002 | 1 |
27 | 1 | 5 | DT | H6 | H | 6.714 | 0.001 | 1 |
28 | 1 | 5 | DT | H71 | H | 1.592 | 0.002 | 1 |
29 | 1 | 5 | DT | H72 | H | 1.592 | 0.002 | 1 |
30 | 1 | 5 | DT | H73 | H | 1.592 | 0.002 | 1 |
31 | 1 | 5 | DT | C6 | C | 136.646 | 1 | |
32 | 1 | 6 | DA | H1' | H | 6.093 | 0.003 | 1 |
33 | 1 | 6 | DA | H2' | H | 2.427 | 0.002 | 1 |
34 | 1 | 6 | DA | H2'' | H | 2.429 | 0.003 | 1 |
35 | 1 | 6 | DA | H3' | H | 4.563 | 0.002 | 1 |
36 | 1 | 6 | DA | H4' | H | 3.177 | 0.002 | 1 |
37 | 1 | 6 | DA | H5' | H | 2.930 | 0.002 | 2 |
38 | 1 | 6 | DA | H5'' | H | 3.263 | 0.002 | 2 |
39 | 1 | 6 | DA | H8 | H | 7.901 | 0.002 | 1 |
40 | 1 | 6 | DA | C8 | C | 142.369 | 1 | |
41 | 1 | 7 | DG | H1 | H | 11.877 | 0.002 | 1 |
42 | 1 | 7 | DG | H1' | H | 6.030 | 0.004 | 1 |
43 | 1 | 7 | DG | H2' | H | 3.586 | 0.0 | 1 |
44 | 1 | 7 | DG | H2'' | H | 2.879 | 0.002 | 1 |
45 | 1 | 7 | DG | H3' | H | 4.789 | 0.003 | 1 |
46 | 1 | 7 | DG | H8 | H | 7.379 | 0.001 | 1 |
47 | 1 | 7 | DG | C8 | C | 142.153 | 1 | |
48 | 1 | 8 | DG | H1 | H | 11.294 | 0.003 | 1 |
49 | 1 | 8 | DG | H1' | H | 5.690 | 0.004 | 1 |
50 | 1 | 8 | DG | H2' | H | 2.463 | 0.003 | 1 |
51 | 1 | 8 | DG | H2'' | H | 2.587 | 0.005 | 1 |
52 | 1 | 8 | DG | H3' | H | 5.002 | 0.002 | 1 |
53 | 1 | 8 | DG | H8 | H | 7.859 | 0.002 | 1 |
54 | 1 | 8 | DG | C8 | C | 138.062 | 1 | |
55 | 1 | 9 | DG | H1 | H | 11.725 | 0.003 | 1 |
56 | 1 | 9 | DG | H1' | H | 6.153 | 0.003 | 1 |
57 | 1 | 9 | DG | H2' | H | 2.434 | 0.003 | 1 |
58 | 1 | 9 | DG | H2'' | H | 2.756 | 0.003 | 1 |
59 | 1 | 9 | DG | H3' | H | 4.955 | 0.002 | 1 |
60 | 1 | 9 | DG | H8 | H | 7.695 | 0.003 | 1 |
61 | 1 | 9 | DG | C8 | C | 137.443 | 1 | |
62 | 1 | 10 | DC | H1' | H | 5.231 | 0.004 | 1 |
63 | 1 | 10 | DC | H2' | H | 1.047 | 0.002 | 1 |
64 | 1 | 10 | DC | H2'' | H | 1.954 | 0.003 | 1 |
65 | 1 | 10 | DC | H3' | H | 4.521 | 0.001 | 1 |
66 | 1 | 10 | DC | H5 | H | 5.699 | 0.003 | 1 |
67 | 1 | 10 | DC | H6 | H | 6.983 | 0.001 | 1 |
68 | 1 | 10 | DC | H41 | H | 8.366 | 0.004 | 1 |
69 | 1 | 10 | DC | H42 | H | 6.914 | 0.003 | 1 |
70 | 1 | 10 | DC | C6 | C | 142.380 | 1 | |
71 | 1 | 11 | DG | H1' | H | 5.628 | 0.004 | 1 |
72 | 1 | 11 | DG | H2' | H | 2.281 | 0.005 | 1 |
73 | 1 | 11 | DG | H2'' | H | 2.193 | 0.002 | 1 |
74 | 1 | 11 | DG | H3' | H | 4.652 | 0.002 | 1 |
75 | 1 | 11 | DG | H8 | H | 7.703 | 0.002 | 1 |
76 | 1 | 11 | DG | C8 | C | 139.332 | 1 | |
77 | 1 | 12 | DG | H1' | H | 5.739 | 0.003 | 1 |
78 | 1 | 12 | DG | H2' | H | 2.390 | 0.004 | 1 |
79 | 1 | 12 | DG | H2'' | H | 2.118 | 0.001 | 1 |
80 | 1 | 12 | DG | H3' | H | 4.519 | 0.0 | 1 |
81 | 1 | 12 | DG | H8 | H | 7.738 | 0.002 | 1 |
82 | 1 | 12 | DG | C8 | C | 139.000 | 1 | |
83 | 1 | 13 | DC | H1' | H | 5.499 | 0.001 | 1 |
84 | 1 | 13 | DC | H2' | H | 2.143 | 0.002 | 1 |
85 | 1 | 13 | DC | H2'' | H | 2.235 | 0.002 | 1 |
86 | 1 | 13 | DC | H3' | H | 4.504 | 0.005 | 1 |
87 | 1 | 13 | DC | H5 | H | 5.315 | 0.001 | 1 |
88 | 1 | 13 | DC | H6 | H | 7.097 | 0.002 | 1 |
89 | 1 | 14 | DG | H1 | H | 12.530 | 1 | |
90 | 1 | 14 | DG | H1' | H | 5.981 | 0.003 | 1 |
91 | 1 | 14 | DG | H2' | H | 2.816 | 0.003 | 1 |
92 | 1 | 14 | DG | H2'' | H | 2.687 | 0.002 | 1 |
93 | 1 | 14 | DG | H3' | H | 4.907 | 0.002 | 1 |
94 | 1 | 14 | DG | H8 | H | 7.868 | 0.002 | 1 |
95 | 1 | 14 | DG | C8 | C | 139.751 | 1 | |
96 | 1 | 15 | DG | H1 | H | 11.369 | 0.003 | 1 |
97 | 1 | 15 | DG | H1' | H | 5.916 | 0.003 | 1 |
98 | 1 | 15 | DG | H2' | H | 3.588 | 0.005 | 1 |
99 | 1 | 15 | DG | H2'' | H | 2.886 | 0.004 | 1 |
100 | 1 | 15 | DG | H3' | H | 4.974 | 0.005 | 1 |
101 | 1 | 15 | DG | H8 | H | 6.873 | 0.002 | 1 |
102 | 1 | 15 | DG | C8 | C | 140.504 | 1 | |
103 | 1 | 16 | DG | H1 | H | 10.978 | 0.003 | 1 |
104 | 1 | 16 | DG | H1' | H | 5.752 | 0.003 | 1 |
105 | 1 | 16 | DG | H2' | H | 2.676 | 0.002 | 1 |
106 | 1 | 16 | DG | H2'' | H | 2.438 | 0.003 | 1 |
107 | 1 | 16 | DG | H3' | H | 5.056 | 0.002 | 1 |
108 | 1 | 16 | DG | H8 | H | 7.236 | 0.002 | 1 |
109 | 1 | 16 | DG | C8 | C | 140.181 | 1 | |
110 | 1 | 17 | DG | H1 | H | 11.313 | 0.003 | 1 |
111 | 1 | 17 | DG | H1' | H | 6.127 | 0.004 | 1 |
112 | 1 | 17 | DG | H2' | H | 2.831 | 0.003 | 1 |
113 | 1 | 17 | DG | H2'' | H | 2.540 | 0.001 | 1 |
114 | 1 | 17 | DG | H3' | H | 5.073 | 0.002 | 1 |
115 | 1 | 17 | DG | H8 | H | 7.849 | 0.001 | 1 |
116 | 1 | 17 | DG | C8 | C | 137.899 | 1 | |
117 | 1 | 18 | DC | H1' | H | 6.200 | 0.002 | 1 |
118 | 1 | 18 | DC | H2' | H | 2.110 | 1 | |
119 | 1 | 18 | DC | H2'' | H | 2.351 | 0.002 | 1 |
120 | 1 | 18 | DC | H3' | H | 4.819 | 0.002 | 1 |
121 | 1 | 18 | DC | H5 | H | 6.101 | 1 | |
122 | 1 | 18 | DC | H6 | H | 7.909 | 0.001 | 1 |
123 | 1 | 18 | DC | C6 | C | 144.179 | 1 | |
124 | 1 | 19 | DA | H1' | H | 6.024 | 0.004 | 1 |
125 | 1 | 19 | DA | H2' | H | 2.906 | 0.003 | 1 |
126 | 1 | 19 | DA | H2'' | H | 2.907 | 0.004 | 1 |
127 | 1 | 19 | DA | H3' | H | 4.959 | 1 | |
128 | 1 | 19 | DA | H8 | H | 7.496 | 0.002 | 1 |
129 | 1 | 19 | DA | C8 | C | 139.715 | 1 | |
130 | 1 | 20 | DG | H1 | H | 10.586 | 0.003 | 1 |
131 | 1 | 20 | DG | H1' | H | 5.927 | 0.004 | 1 |
132 | 1 | 20 | DG | H2' | H | 3.273 | 0.003 | 1 |
133 | 1 | 20 | DG | H2'' | H | 2.919 | 0.005 | 1 |
134 | 1 | 20 | DG | H3' | H | 4.951 | 0.001 | 1 |
135 | 1 | 20 | DG | H8 | H | 7.315 | 0.003 | 1 |
136 | 1 | 20 | DG | C8 | C | 141.651 | 1 | |
137 | 1 | 21 | DG | H1 | H | 11.623 | 0.003 | 1 |
138 | 1 | 21 | DG | H1' | H | 5.661 | 0.003 | 1 |
139 | 1 | 21 | DG | H2' | H | 2.463 | 0.002 | 1 |
140 | 1 | 21 | DG | H2'' | H | 2.464 | 0.001 | 1 |
141 | 1 | 21 | DG | H3' | H | 5.016 | 0.005 | 1 |
142 | 1 | 21 | DG | H8 | H | 7.804 | 0.002 | 1 |
143 | 1 | 21 | DG | C8 | C | 137.764 | 1 | |
144 | 1 | 22 | DG | H1 | H | 11.168 | 0.003 | 1 |
145 | 1 | 22 | DG | H1' | H | 6.195 | 0.004 | 1 |
146 | 1 | 22 | DG | H2' | H | 2.480 | 0.003 | 1 |
147 | 1 | 22 | DG | H2'' | H | 2.781 | 0.002 | 1 |
148 | 1 | 22 | DG | H3' | H | 5.041 | 0.001 | 1 |
149 | 1 | 22 | DG | H8 | H | 7.186 | 0.003 | 1 |
150 | 1 | 22 | DG | C8 | C | 136.142 | 1 | |
151 | 1 | 23 | DT | H1' | H | 6.381 | 0.002 | 1 |
152 | 1 | 23 | DT | H2' | H | 2.442 | 0.006 | 1 |
153 | 1 | 23 | DT | H2'' | H | 2.442 | 0.006 | 1 |
154 | 1 | 23 | DT | H3' | H | 4.658 | 0.002 | 1 |
155 | 1 | 23 | DT | H6 | H | 7.781 | 0.002 | 1 |
156 | 1 | 23 | DT | H71 | H | 1.999 | 1 | |
157 | 1 | 23 | DT | H72 | H | 1.999 | 1 | |
158 | 1 | 23 | DT | H73 | H | 1.999 | 1 | |
159 | 1 | 23 | DT | C6 | C | 140.198 | 1 |