Phen-DC3 intercalation causes hybrid-to-antiparallel transformation of human telomeric DNA G-quadruplex
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DT | H1' | H | 5.175 | 0.002 | 1 |
2 | 1 | 1 | DT | H2' | H | 0.948 | 0.004 | 1 |
3 | 1 | 1 | DT | H2'' | H | 1.462 | 0.002 | 1 |
4 | 1 | 1 | DT | H3' | H | 3.964 | 0.003 | 1 |
5 | 1 | 1 | DT | H4' | H | 3.315 | 0.003 | 1 |
6 | 1 | 1 | DT | H5' | H | 2.951 | 0.003 | 2 |
7 | 1 | 1 | DT | H5'' | H | 2.951 | 0.003 | 2 |
8 | 1 | 1 | DT | H6 | H | 6.663 | 0.001 | 1 |
9 | 1 | 1 | DT | H71 | H | 0.859 | 0.004 | 2 |
10 | 1 | 1 | DT | H72 | H | 0.859 | 0.004 | 2 |
11 | 1 | 1 | DT | H73 | H | 0.859 | 0.004 | 2 |
12 | 1 | 2 | DA | H1' | H | 5.715 | 0.005 | 1 |
13 | 1 | 2 | DA | H2 | H | 7.411 | 0.001 | 1 |
14 | 1 | 2 | DA | H8 | H | 7.763 | 0.005 | 1 |
15 | 1 | 3 | DG | H1' | H | 6.026 | 0.005 | 1 |
16 | 1 | 3 | DG | H2' | H | 3.022 | 0.005 | 1 |
17 | 1 | 3 | DG | H2'' | H | 2.854 | 0.004 | 1 |
18 | 1 | 3 | DG | H3' | H | 5.630 | 0.005 | 1 |
19 | 1 | 3 | DG | H4' | H | 4.203 | 0.006 | 1 |
20 | 1 | 3 | DG | H8 | H | 6.756 | 0.003 | 1 |
21 | 1 | 4 | DG | H1 | H | 11.210 | 0.004 | 1 |
22 | 1 | 4 | DG | H1' | H | 5.680 | 0.005 | 1 |
23 | 1 | 4 | DG | H2' | H | 3.184 | 0.005 | 1 |
24 | 1 | 4 | DG | H2'' | H | 2.669 | 0.003 | 1 |
25 | 1 | 4 | DG | H3' | H | 4.918 | 0.005 | 1 |
26 | 1 | 4 | DG | H4' | H | 4.352 | 0.007 | 1 |
27 | 1 | 4 | DG | H8 | H | 6.654 | 0.002 | 1 |
28 | 1 | 5 | DG | H1 | H | 11.240 | 0.002 | 1 |
29 | 1 | 5 | DG | H1' | H | 5.638 | 0.005 | 1 |
30 | 1 | 5 | DG | H2' | H | 2.524 | 0.005 | 1 |
31 | 1 | 5 | DG | H2'' | H | 2.434 | 0.004 | 1 |
32 | 1 | 5 | DG | H3' | H | 5.078 | 0.006 | 1 |
33 | 1 | 5 | DG | H4' | H | 4.254 | 0.006 | 1 |
34 | 1 | 5 | DG | H5' | H | 4.150 | 0.003 | 2 |
35 | 1 | 5 | DG | H5'' | H | 4.150 | 0.006 | 2 |
36 | 1 | 5 | DG | H8 | H | 7.367 | 0.003 | 1 |
37 | 1 | 6 | DT | H1' | H | 6.201 | 0.004 | 1 |
38 | 1 | 6 | DT | H2' | H | 2.243 | 0.006 | 1 |
39 | 1 | 6 | DT | H2'' | H | 2.392 | 0.005 | 1 |
40 | 1 | 6 | DT | H3' | H | 4.816 | 0.007 | 1 |
41 | 1 | 6 | DT | H4' | H | 4.333 | 0.007 | 1 |
42 | 1 | 6 | DT | H5' | H | 4.067 | 0.007 | 2 |
43 | 1 | 6 | DT | H5'' | H | 4.218 | 0.004 | 2 |
44 | 1 | 6 | DT | H6 | H | 7.800 | 0.001 | 1 |
45 | 1 | 6 | DT | H71 | H | 1.918 | 0.003 | 2 |
46 | 1 | 6 | DT | H72 | H | 1.918 | 0.003 | 2 |
47 | 1 | 6 | DT | H73 | H | 1.918 | 0.003 | 2 |
48 | 1 | 7 | DT | H1' | H | 5.716 | 0.004 | 1 |
49 | 1 | 7 | DT | H2' | H | 1.075 | 0.004 | 1 |
50 | 1 | 7 | DT | H2'' | H | 1.916 | 0.006 | 1 |
51 | 1 | 7 | DT | H3' | H | 4.601 | 0.004 | 1 |
52 | 1 | 7 | DT | H4' | H | 4.048 | 0.003 | 1 |
53 | 1 | 7 | DT | H5' | H | 3.870 | 0.001 | 2 |
54 | 1 | 7 | DT | H5'' | H | 3.810 | 0.008 | 2 |
55 | 1 | 7 | DT | H6 | H | 7.110 | 0.003 | 1 |
56 | 1 | 7 | DT | H71 | H | 1.521 | 0.004 | 2 |
57 | 1 | 7 | DT | H72 | H | 1.521 | 0.004 | 2 |
58 | 1 | 7 | DT | H73 | H | 1.521 | 0.004 | 2 |
59 | 1 | 8 | DA | H1' | H | 5.962 | 0.006 | 1 |
60 | 1 | 8 | DA | H2 | H | 7.750 | 0.003 | 1 |
61 | 1 | 8 | DA | H2' | H | 2.707 | 0.005 | 1 |
62 | 1 | 8 | DA | H2'' | H | 2.605 | 0.003 | 1 |
63 | 1 | 8 | DA | H3' | H | 4.901 | 0.007 | 1 |
64 | 1 | 8 | DA | H4' | H | 4.175 | 0.004 | 1 |
65 | 1 | 8 | DA | H5' | H | 3.892 | 0.005 | 2 |
66 | 1 | 8 | DA | H5'' | H | 3.696 | 0.006 | 2 |
67 | 1 | 8 | DA | H8 | H | 7.958 | 0.005 | 1 |
68 | 1 | 9 | DG | H1 | H | 11.270 | 0.007 | 1 |
69 | 1 | 9 | DG | H1' | H | 5.837 | 0.005 | 1 |
70 | 1 | 9 | DG | H2' | H | 3.312 | 0.003 | 1 |
71 | 1 | 9 | DG | H2'' | H | 2.780 | 0.003 | 1 |
72 | 1 | 9 | DG | H3' | H | 4.891 | 0.005 | 1 |
73 | 1 | 9 | DG | H4' | H | 4.265 | 0.002 | 1 |
74 | 1 | 9 | DG | H8 | H | 7.189 | 0.004 | 1 |
75 | 1 | 10 | DG | H1 | H | 11.360 | 0.005 | 1 |
76 | 1 | 10 | DG | H1' | H | 5.779 | 0.005 | 1 |
77 | 1 | 10 | DG | H2' | H | 2.530 | 0.006 | 1 |
78 | 1 | 10 | DG | H2'' | H | 2.581 | 0.006 | 1 |
79 | 1 | 10 | DG | H3' | H | 5.091 | 0.004 | 1 |
80 | 1 | 10 | DG | H4' | H | 4.280 | 0.001 | 1 |
81 | 1 | 10 | DG | H5' | H | 4.151 | 0.004 | 2 |
82 | 1 | 10 | DG | H5'' | H | 4.151 | 0.004 | 2 |
83 | 1 | 10 | DG | H8 | H | 7.669 | 0.006 | 1 |
84 | 1 | 11 | DG | H1' | H | 5.885 | 0.006 | 1 |
85 | 1 | 11 | DG | H2' | H | 2.814 | 0.003 | 1 |
86 | 1 | 11 | DG | H2'' | H | 2.583 | 0.004 | 1 |
87 | 1 | 11 | DG | H3' | H | 4.988 | 0.004 | 1 |
88 | 1 | 11 | DG | H4' | H | 4.501 | 0.004 | 1 |
89 | 1 | 11 | DG | H5' | H | 4.279 | 0.001 | 2 |
90 | 1 | 11 | DG | H5'' | H | 4.279 | 0.001 | 2 |
91 | 1 | 11 | DG | H8 | H | 8.069 | 0.006 | 1 |
92 | 1 | 12 | DT | H1' | H | 6.328 | 0.003 | 1 |
93 | 1 | 12 | DT | H2' | H | 2.374 | 0.004 | 1 |
94 | 1 | 12 | DT | H2'' | H | 2.554 | 0.005 | 1 |
95 | 1 | 12 | DT | H3' | H | 4.887 | 0.003 | 1 |
96 | 1 | 12 | DT | H4' | H | 4.486 | 0.003 | 1 |
97 | 1 | 12 | DT | H5' | H | 4.137 | 0.003 | 2 |
98 | 1 | 12 | DT | H5'' | H | 4.211 | 0.006 | 2 |
99 | 1 | 12 | DT | H6 | H | 7.762 | 0.002 | 1 |
100 | 1 | 12 | DT | H71 | H | 1.932 | 0.002 | 2 |
101 | 1 | 12 | DT | H72 | H | 1.932 | 0.002 | 2 |
102 | 1 | 12 | DT | H73 | H | 1.932 | 0.002 | 2 |
103 | 1 | 13 | DT | H1' | H | 6.143 | 0.006 | 1 |
104 | 1 | 13 | DT | H2' | H | 1.838 | 0.004 | 1 |
105 | 1 | 13 | DT | H2'' | H | 2.188 | 0.005 | 1 |
106 | 1 | 13 | DT | H3' | H | 4.495 | 0.007 | 1 |
107 | 1 | 13 | DT | H4' | H | 4.161 | 0.003 | 1 |
108 | 1 | 13 | DT | H5' | H | 4.036 | 0.002 | 2 |
109 | 1 | 13 | DT | H5'' | H | 4.036 | 0.002 | 2 |
110 | 1 | 13 | DT | H6 | H | 7.543 | 0.002 | 1 |
111 | 1 | 13 | DT | H71 | H | 1.533 | 0.005 | 2 |
112 | 1 | 13 | DT | H72 | H | 1.533 | 0.005 | 2 |
113 | 1 | 13 | DT | H73 | H | 1.533 | 0.005 | 2 |
114 | 1 | 14 | DA | H1' | H | 5.708 | 0.006 | 1 |
115 | 1 | 14 | DA | H2 | H | 7.553 | 0.003 | 1 |
116 | 1 | 14 | DA | H2' | H | 1.805 | 0.005 | 1 |
117 | 1 | 14 | DA | H2'' | H | 2.504 | 0.006 | 1 |
118 | 1 | 14 | DA | H3' | H | 4.603 | 0.007 | 1 |
119 | 1 | 14 | DA | H4' | H | 4.048 | 0.006 | 1 |
120 | 1 | 14 | DA | H5' | H | 3.850 | 0.001 | 2 |
121 | 1 | 14 | DA | H5'' | H | 3.806 | 0.004 | 2 |
122 | 1 | 14 | DA | H8 | H | 7.105 | 0.004 | 1 |
123 | 1 | 15 | DG | H1 | H | 10.160 | 0.004 | 1 |
124 | 1 | 15 | DG | H1' | H | 6.111 | 0.003 | 1 |
125 | 1 | 15 | DG | H2' | H | 2.820 | 0.007 | 1 |
126 | 1 | 15 | DG | H2'' | H | 2.921 | 0.005 | 1 |
127 | 1 | 15 | DG | H3' | H | 5.460 | 0.006 | 1 |
128 | 1 | 15 | DG | H4' | H | 4.204 | 0.002 | 1 |
129 | 1 | 15 | DG | H5' | H | 4.085 | 0.000 | 2 |
130 | 1 | 15 | DG | H5'' | H | 4.085 | 0.000 | 2 |
131 | 1 | 15 | DG | H8 | H | 7.507 | 0.004 | 1 |
132 | 1 | 16 | DG | H1 | H | 10.540 | 0.004 | 1 |
133 | 1 | 16 | DG | H1' | H | 5.819 | 0.004 | 1 |
134 | 1 | 16 | DG | H2' | H | 2.872 | 0.002 | 1 |
135 | 1 | 16 | DG | H2'' | H | 2.580 | 0.005 | 1 |
136 | 1 | 16 | DG | H3' | H | 4.814 | 0.007 | 1 |
137 | 1 | 16 | DG | H4' | H | 4.444 | 0.007 | 1 |
138 | 1 | 16 | DG | H8 | H | 7.127 | 0.004 | 1 |
139 | 1 | 17 | DG | H1 | H | 11.210 | 0.001 | 1 |
140 | 1 | 17 | DG | H1' | H | 5.710 | 0.001 | 1 |
141 | 1 | 17 | DG | H2' | H | 2.458 | 0.005 | 1 |
142 | 1 | 17 | DG | H2'' | H | 2.494 | 0.001 | 1 |
143 | 1 | 17 | DG | H3' | H | 5.077 | 0.003 | 1 |
144 | 1 | 17 | DG | H4' | H | 4.268 | 0.004 | 1 |
145 | 1 | 17 | DG | H5' | H | 4.164 | 0.005 | 2 |
146 | 1 | 17 | DG | H5'' | H | 4.164 | 0.005 | 2 |
147 | 1 | 17 | DG | H8 | H | 7.364 | 0.004 | 1 |
148 | 1 | 18 | DT | H1' | H | 6.210 | 0.003 | 1 |
149 | 1 | 18 | DT | H2' | H | 2.248 | 0.007 | 1 |
150 | 1 | 18 | DT | H2'' | H | 2.384 | 0.007 | 1 |
151 | 1 | 18 | DT | H3' | H | 4.820 | 0.006 | 1 |
152 | 1 | 18 | DT | H4' | H | 4.326 | 0.006 | 1 |
153 | 1 | 18 | DT | H5' | H | 4.070 | 0.005 | 2 |
154 | 1 | 18 | DT | H5'' | H | 4.218 | 0.003 | 2 |
155 | 1 | 18 | DT | H6 | H | 7.805 | 0.004 | 1 |
156 | 1 | 18 | DT | H71 | H | 1.934 | 0.004 | 2 |
157 | 1 | 18 | DT | H72 | H | 1.934 | 0.004 | 2 |
158 | 1 | 18 | DT | H73 | H | 1.934 | 0.004 | 2 |
159 | 1 | 19 | DT | H1' | H | 5.726 | 0.007 | 1 |
160 | 1 | 19 | DT | H2' | H | 1.086 | 0.007 | 1 |
161 | 1 | 19 | DT | H2'' | H | 1.936 | 0.007 | 1 |
162 | 1 | 19 | DT | H3' | H | 4.606 | 0.005 | 1 |
163 | 1 | 19 | DT | H4' | H | 4.053 | 0.007 | 1 |
164 | 1 | 19 | DT | H5' | H | 3.861 | 0.004 | 2 |
165 | 1 | 19 | DT | H5'' | H | 3.800 | 0.004 | 2 |
166 | 1 | 19 | DT | H6 | H | 7.109 | 0.002 | 1 |
167 | 1 | 19 | DT | H71 | H | 1.517 | 0.003 | 2 |
168 | 1 | 19 | DT | H72 | H | 1.517 | 0.003 | 2 |
169 | 1 | 19 | DT | H73 | H | 1.517 | 0.003 | 2 |
170 | 1 | 20 | DA | H1' | H | 6.020 | 0.005 | 1 |
171 | 1 | 20 | DA | H2 | H | 7.781 | 0.003 | 1 |
172 | 1 | 20 | DA | H2' | H | 2.736 | 0.007 | 1 |
173 | 1 | 20 | DA | H2'' | H | 2.620 | 0.006 | 1 |
174 | 1 | 20 | DA | H3' | H | 4.908 | 0.005 | 1 |
175 | 1 | 20 | DA | H4' | H | 4.185 | 0.006 | 1 |
176 | 1 | 20 | DA | H5' | H | 3.905 | 0.006 | 2 |
177 | 1 | 20 | DA | H5'' | H | 3.711 | 0.004 | 2 |
178 | 1 | 20 | DA | H8 | H | 7.995 | 0.005 | 1 |
179 | 1 | 21 | DG | H1 | H | 11.220 | 0.001 | 1 |
180 | 1 | 21 | DG | H1' | H | 5.809 | 0.008 | 1 |
181 | 1 | 21 | DG | H2' | H | 3.302 | 0.007 | 1 |
182 | 1 | 21 | DG | H2'' | H | 2.767 | 0.006 | 1 |
183 | 1 | 21 | DG | H3' | H | 4.909 | 0.005 | 1 |
184 | 1 | 21 | DG | H4' | H | 4.287 | 0.004 | 1 |
185 | 1 | 21 | DG | H5' | H | 4.157 | 0.006 | 2 |
186 | 1 | 21 | DG | H5'' | H | 4.157 | 0.006 | 2 |
187 | 1 | 21 | DG | H8 | H | 7.034 | 0.003 | 1 |
188 | 1 | 22 | DG | H1 | H | 11.170 | 0.005 | 1 |
189 | 1 | 22 | DG | H1' | H | 5.387 | 0.004 | 1 |
190 | 1 | 22 | DG | H2' | H | 2.674 | 0.003 | 1 |
191 | 1 | 22 | DG | H2'' | H | 2.662 | 0.001 | 1 |
192 | 1 | 22 | DG | H3' | H | 5.082 | 0.003 | 1 |
193 | 1 | 22 | DG | H4' | H | 4.269 | 0.003 | 1 |
194 | 1 | 22 | DG | H5' | H | 4.157 | 0.003 | 2 |
195 | 1 | 22 | DG | H5'' | H | 4.157 | 0.003 | 2 |
196 | 1 | 22 | DG | H8 | H | 8.064 | 0.003 | 1 |
197 | 1 | 23 | DG | H1 | H | 10.020 | 0.002 | 1 |
198 | 1 | 23 | DG | H1' | H | 5.598 | 0.003 | 1 |
199 | 1 | 23 | DG | H2' | H | 2.667 | 0.002 | 1 |
200 | 1 | 23 | DG | H2'' | H | 2.392 | 0.004 | 1 |
201 | 1 | 23 | DG | H3' | H | 4.513 | 0.007 | 1 |
202 | 1 | 23 | DG | H4' | H | 4.211 | 0.006 | 1 |
203 | 1 | 23 | DG | H5' | H | 4.404 | 0.004 | 2 |
204 | 1 | 23 | DG | H5'' | H | 4.120 | 0.002 | 2 |
205 | 1 | 23 | DG | H8 | H | 7.504 | 0.006 | 1 |
206 | 2 | 1 | PQ3 | HA | H | 12.070 | 0.002 | 1 |
207 | 2 | 1 | PQ3 | HA' | H | 12.073 | 0.002 | 1 |
208 | 2 | 1 | PQ3 | HB | H | 9.046 | 0.005 | 1 |
209 | 2 | 1 | PQ3 | HB' | H | 8.917 | 0.003 | 1 |
210 | 2 | 1 | PQ3 | HC | H | 10.060 | 0.003 | 1 |
211 | 2 | 1 | PQ3 | HC' | H | 10.280 | 0.004 | 1 |
212 | 2 | 1 | PQ3 | HD | H | 7.865 | 0.003 | 1 |
213 | 2 | 1 | PQ3 | HD' | H | 7.601 | 0.005 | 1 |
214 | 2 | 1 | PQ3 | HE | H | 7.432 | 0.005 | 1 |
215 | 2 | 1 | PQ3 | HE' | H | 7.390 | 0.006 | 1 |
216 | 2 | 1 | PQ3 | HF | H | 7.106 | 0.002 | 1 |
217 | 2 | 1 | PQ3 | HF' | H | 6.920 | 0.006 | 1 |
218 | 2 | 1 | PQ3 | HG | H | 7.504 | 0.004 | 1 |
219 | 2 | 1 | PQ3 | HG' | H | 7.105 | 0.001 | 1 |
220 | 2 | 1 | PQ3 | HI1 | H | 4.696 | 0.007 | 2 |
221 | 2 | 1 | PQ3 | HI2 | H | 4.696 | 0.007 | 2 |
222 | 2 | 1 | PQ3 | HI3 | H | 4.696 | 0.007 | 2 |
223 | 2 | 1 | PQ3 | HI1' | H | 4.512 | 0.004 | 2 |
224 | 2 | 1 | PQ3 | HI2' | H | 4.512 | 0.004 | 2 |
225 | 2 | 1 | PQ3 | HI3' | H | 4.512 | 0.004 | 2 |
226 | 2 | 1 | PQ3 | HH | H | 7.251 | 0.002 | 1 |
227 | 2 | 1 | PQ3 | HH' | H | 7.228 | 0.007 | 1 |
228 | 2 | 1 | PQ3 | HJ | H | 8.496 | 0.003 | 1 |
229 | 2 | 1 | PQ3 | HJ' | H | 8.349 | 0.003 | 1 |
230 | 2 | 1 | PQ3 | HK | H | 8.212 | 0.006 | 1 |
231 | 2 | 1 | PQ3 | HK' | H | 8.113 | 0.006 | 1 |