Single acyclic phosphonate nucleotide (S)-ZNA modification on DNA hairpin
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DC | H1' | H | 5.823 | 0.000 | |
2 | 1 | 1 | DC | H2' | H | 1.928 | 0.000 | |
3 | 1 | 1 | DC | H2'' | H | 2.404 | 0.000 | |
4 | 1 | 1 | DC | H3' | H | 4.709 | 0.000 | |
5 | 1 | 1 | DC | H4' | H | 4.076 | 0.000 | |
6 | 1 | 1 | DC | H5 | H | 5.951 | 0.000 | |
7 | 1 | 1 | DC | H5' | H | 3.720 | 0.000 | |
8 | 1 | 1 | DC | H6 | H | 7.639 | 0.000 | |
9 | 1 | 1 | DC | C1' | C | 85.685 | 0.000 | |
10 | 1 | 1 | DC | C2' | C | 37.374 | 0.000 | |
11 | 1 | 1 | DC | C3' | C | 75.504 | 0.000 | |
12 | 1 | 1 | DC | C4' | C | 85.725 | 0.000 | |
13 | 1 | 1 | DC | C5 | C | 96.837 | 0.000 | |
14 | 1 | 1 | DC | C5' | C | 61.226 | 0.000 | |
15 | 1 | 1 | DC | C6 | C | 140.923 | 0.000 | |
16 | 1 | 2 | DG | H1' | H | 5.905 | 0.000 | |
17 | 1 | 2 | DG | H2' | H | 2.680 | 0.000 | |
18 | 1 | 2 | DG | H2'' | H | 2.731 | 0.000 | |
19 | 1 | 2 | DG | H3' | H | 4.969 | 0.000 | |
20 | 1 | 2 | DG | H4' | H | 4.343 | 0.000 | |
21 | 1 | 2 | DG | H5' | H | 4.089 | 0.000 | |
22 | 1 | 2 | DG | H5'' | H | 3.990 | 0.000 | |
23 | 1 | 2 | DG | H8 | H | 7.985 | 0.000 | |
24 | 1 | 2 | DG | C1' | C | 81.974 | 0.000 | |
25 | 1 | 2 | DG | C2' | C | 37.126 | 0.000 | |
26 | 1 | 2 | DG | C3' | C | 77.054 | 0.000 | |
27 | 1 | 2 | DG | C4' | C | 84.832 | 0.000 | |
28 | 1 | 2 | DG | C5' | C | 65.740 | 0.000 | |
29 | 1 | 2 | DG | C8 | C | 135.768 | 0.000 | |
30 | 1 | 2 | DG | P | P | -0.984 | 0.000 | |
31 | 1 | 3 | DC | H1' | H | 5.811 | 0.000 | |
32 | 1 | 3 | DC | H2' | H | 1.605 | 0.000 | |
33 | 1 | 3 | DC | H2'' | H | 2.152 | 0.000 | |
34 | 1 | 3 | DC | H3' | H | 4.763 | 0.000 | |
35 | 1 | 3 | DC | H4' | H | 4.132 | 0.000 | |
36 | 1 | 3 | DC | H5 | H | 5.487 | 0.000 | |
37 | 1 | 3 | DC | H5' | H | 4.085 | 0.000 | |
38 | 1 | 3 | DC | H5'' | H | 4.175 | 0.000 | |
39 | 1 | 3 | DC | H6 | H | 7.274 | 0.000 | |
40 | 1 | 3 | DC | C1' | C | 83.921 | 0.000 | |
41 | 1 | 3 | DC | C2' | C | 36.913 | 0.000 | |
42 | 1 | 3 | DC | C3' | C | 74.337 | 0.000 | |
43 | 1 | 3 | DC | C4' | C | 83.126 | 0.000 | |
44 | 1 | 3 | DC | C5 | C | 96.240 | 0.000 | |
45 | 1 | 3 | DC | C5' | C | 64.750 | 0.000 | |
46 | 1 | 3 | DC | C6 | C | 139.837 | 0.000 | |
47 | 1 | 3 | DC | P | P | -1.014 | 0.000 | |
48 | 1 | 4 | DG | H1' | H | 5.665 | 0.000 | |
49 | 1 | 4 | DG | H2'' | H | 2.385 | 0.000 | |
50 | 1 | 4 | DG | H3' | H | 4.889 | 0.000 | |
51 | 1 | 4 | DG | H4' | H | 4.263 | 0.000 | |
52 | 1 | 4 | DG | H5' | H | 4.035 | 0.000 | |
53 | 1 | 4 | DG | H5'' | H | 3.996 | 0.000 | |
54 | 1 | 4 | DG | H8 | H | 7.665 | 0.000 | |
55 | 1 | 4 | DG | C1' | C | 81.960 | 0.000 | |
56 | 1 | 4 | DG | C2' | C | 36.987 | 0.000 | |
57 | 1 | 4 | DG | C3' | C | 76.882 | 0.000 | |
58 | 1 | 4 | DG | C4' | C | 84.688 | 0.000 | |
59 | 1 | 4 | DG | C5' | C | 65.146 | 0.000 | |
60 | 1 | 4 | DG | C8 | C | 135.880 | 0.000 | |
61 | 1 | 4 | DG | P | P | -1.025 | 0.000 | |
62 | 1 | 5 | DA | H1' | H | 6.089 | 0.000 | |
63 | 1 | 5 | DA | H2 | H | 7.909 | 0.000 | |
64 | 1 | 5 | DA | H2' | H | 2.539 | 0.000 | |
65 | 1 | 5 | DA | H2'' | H | 2.599 | 0.000 | |
66 | 1 | 5 | DA | H3' | H | 4.930 | 0.000 | |
67 | 1 | 5 | DA | H4' | H | 4.238 | 0.000 | |
68 | 1 | 5 | DA | H5' | H | 4.000 | 0.000 | |
69 | 1 | 5 | DA | H5'' | H | 4.046 | 0.000 | |
70 | 1 | 5 | DA | H8 | H | 8.093 | 0.000 | |
71 | 1 | 5 | DA | C1' | C | 83.142 | 0.000 | |
72 | 1 | 5 | DA | C2 | C | 152.280 | 0.000 | |
73 | 1 | 5 | DA | C2' | C | 37.772 | 0.000 | |
74 | 1 | 5 | DA | C3' | C | 76.103 | 0.000 | |
75 | 1 | 5 | DA | C4 | C | 148.049 | 0.000 | |
76 | 1 | 5 | DA | C4' | C | 84.657 | 0.000 | |
77 | 1 | 5 | DA | C5' | C | 65.197 | 0.000 | |
78 | 1 | 5 | DA | C8 | C | 139.586 | 0.000 | |
79 | 1 | 5 | DA | P | P | -1.228 | 0.000 | |
80 | 1 | 6 | DA | H1' | H | 6.199 | 0.000 | |
81 | 1 | 6 | DA | H2 | H | 7.942 | 0.000 | |
82 | 1 | 6 | DA | H2' | H | 2.690 | 0.000 | |
83 | 1 | 6 | DA | H2'' | H | 2.651 | 0.000 | |
84 | 1 | 6 | DA | H3' | H | 4.885 | 0.000 | |
85 | 1 | 6 | DA | H4' | H | 4.354 | 0.000 | |
86 | 1 | 6 | DA | H5' | H | 4.132 | 0.000 | |
87 | 1 | 6 | DA | H5'' | H | 4.070 | 0.000 | |
88 | 1 | 6 | DA | H8 | H | 8.218 | 0.000 | |
89 | 1 | 6 | DA | C1' | C | 83.332 | 0.000 | |
90 | 1 | 6 | DA | C2 | C | 152.358 | 0.000 | |
91 | 1 | 6 | DA | C2' | C | 38.001 | 0.000 | |
92 | 1 | 6 | DA | C3' | C | 75.741 | 0.000 | |
93 | 1 | 6 | DA | C4 | C | 148.295 | 0.000 | |
94 | 1 | 6 | DA | C4' | C | 84.720 | 0.000 | |
95 | 1 | 6 | DA | C5' | C | 65.163 | 0.000 | |
96 | 1 | 6 | DA | C8 | C | 139.731 | 0.000 | |
97 | 1 | 6 | DA | P | P | -1.046 | 0.000 | |
98 | 1 | 7 | DT | H1' | H | 5.854 | 0.000 | |
99 | 1 | 7 | DT | H2' | H | 2.271 | 0.000 | |
100 | 1 | 7 | DT | H2'' | H | 2.089 | 0.000 | |
101 | 1 | 7 | DT | H3' | H | 4.732 | 0.000 | |
102 | 1 | 7 | DT | H4' | H | 4.145 | 0.000 | |
103 | 1 | 7 | DT | H5' | H | 4.021 | 0.000 | |
104 | 1 | 7 | DT | H5'' | H | 3.983 | 0.000 | |
105 | 1 | 7 | DT | H6 | H | 7.363 | 0.000 | |
106 | 1 | 7 | DT | H71 | H | 1.631 | 0.000 | |
107 | 1 | 7 | DT | H72 | H | 1.631 | 0.000 | |
108 | 1 | 7 | DT | H73 | H | 1.631 | 0.000 | |
109 | 1 | 7 | DT | C1' | C | 84.887 | 0.000 | |
110 | 1 | 7 | DT | C2' | C | 37.951 | 0.000 | |
111 | 1 | 7 | DT | C3' | C | 75.722 | 0.000 | |
112 | 1 | 7 | DT | C4' | C | 84.114 | 0.000 | |
113 | 1 | 7 | DT | C5' | C | 65.304 | 0.000 | |
114 | 1 | 7 | DT | C6 | C | 136.687 | 0.000 | |
115 | 1 | 8 | DT | H1' | H | 6.075 | 0.000 | |
116 | 1 | 8 | DT | H2'' | H | 2.223 | 0.000 | |
117 | 1 | 8 | DT | H3' | H | 4.724 | 0.000 | |
118 | 1 | 8 | DT | H4' | H | 4.030 | 0.000 | |
119 | 1 | 8 | DT | H5' | H | 3.909 | 0.000 | |
120 | 1 | 8 | DT | H5'' | H | 3.989 | 0.000 | |
121 | 1 | 8 | DT | H6 | H | 7.465 | 0.000 | |
122 | 1 | 8 | DT | H71 | H | 1.691 | 0.000 | |
123 | 1 | 8 | DT | H72 | H | 1.691 | 0.000 | |
124 | 1 | 8 | DT | H73 | H | 1.691 | 0.000 | |
125 | 1 | 8 | DT | C1' | C | 84.901 | 0.000 | |
126 | 1 | 8 | DT | C2' | C | 37.871 | 0.000 | |
127 | 1 | 8 | DT | C3' | C | 74.333 | 0.000 | |
128 | 1 | 8 | DT | C4' | C | 84.529 | 0.000 | |
129 | 1 | 8 | DT | C5' | C | 65.344 | 0.000 | |
130 | 1 | 8 | DT | C6 | C | 136.883 | 0.000 | |
131 | 1 | 8 | DT | P | P | -1.126 | 0.000 | |
132 | 1 | 9 | L8P | H1' | H | 3.518 | 0.000 | |
133 | 1 | 9 | L8P | H1'A | H | 3.257 | 0.000 | |
134 | 1 | 9 | L8P | H2' | H | 3.636 | 0.000 | |
135 | 1 | 9 | L8P | H3' | H | 4.073 | 0.000 | |
136 | 1 | 9 | L8P | H3'A | H | 3.854 | 0.000 | |
137 | 1 | 9 | L8P | H4' | H | 3.750 | 0.000 | |
138 | 1 | 9 | L8P | H4'A | H | 3.456 | 0.000 | |
139 | 1 | 9 | L8P | H5 | H | 5.916 | 0.000 | |
140 | 1 | 9 | L8P | H6 | H | 7.465 | 0.000 | |
141 | 1 | 9 | L8P | C2' | C | 77.768 | 0.000 | |
142 | 1 | 9 | L8P | C3' | C | 63.679 | 0.000 | |
143 | 1 | 9 | L8P | C4' | C | 63.766 | 0.000 | |
144 | 1 | 9 | L8P | C5 | C | 95.474 | 0.000 | |
145 | 1 | 9 | L8P | C6 | C | 148.145 | 0.000 | |
146 | 1 | 10 | DG | H1' | H | 5.985 | 0.000 | |
147 | 1 | 10 | DG | H2' | H | 2.655 | 0.000 | |
148 | 1 | 10 | DG | H2'' | H | 2.765 | 0.000 | |
149 | 1 | 10 | DG | H3' | H | 4.890 | 0.000 | |
150 | 1 | 10 | DG | H4' | H | 4.381 | 0.000 | |
151 | 1 | 10 | DG | H5' | H | 4.122 | 0.000 | |
152 | 1 | 10 | DG | H8 | H | 7.962 | 0.000 | |
153 | 1 | 10 | DG | C1' | C | 82.352 | 0.000 | |
154 | 1 | 10 | DG | C2' | C | 37.384 | 0.000 | |
155 | 1 | 10 | DG | C3' | C | 76.104 | 0.000 | |
156 | 1 | 10 | DG | C4' | C | 85.119 | 0.000 | |
157 | 1 | 10 | DG | C5' | C | 67.114 | 0.000 | |
158 | 1 | 10 | DG | C8 | C | 135.503 | 0.000 | |
159 | 1 | 10 | DG | P | P | -0.002 | 0.000 | |
160 | 1 | 11 | DC | H1' | H | 5.867 | 0.000 | |
161 | 1 | 11 | DC | H2' | H | 1.909 | 0.000 | |
162 | 1 | 11 | DC | H2'' | H | 2.363 | 0.000 | |
163 | 1 | 11 | DC | H3' | H | 4.818 | 0.000 | |
164 | 1 | 11 | DC | H4' | H | 4.169 | 0.000 | |
165 | 1 | 11 | DC | H5 | H | 5.521 | 0.000 | |
166 | 1 | 11 | DC | H5' | H | 4.124 | 0.000 | |
167 | 1 | 11 | DC | H5'' | H | 4.196 | 0.000 | |
168 | 1 | 11 | DC | H6 | H | 7.380 | 0.000 | |
169 | 1 | 11 | DC | C1' | C | 83.921 | 0.000 | |
170 | 1 | 11 | DC | C2' | C | 37.196 | 0.000 | |
171 | 1 | 11 | DC | C3' | C | 74.137 | 0.000 | |
172 | 1 | 11 | DC | C4' | C | 83.126 | 0.000 | |
173 | 1 | 11 | DC | C5 | C | 96.044 | 0.000 | |
174 | 1 | 11 | DC | C5' | C | 64.572 | 0.000 | |
175 | 1 | 11 | DC | C6 | C | 140.158 | 0.000 | |
176 | 1 | 11 | DC | P | P | -0.895 | 0.000 | |
177 | 1 | 12 | DG | H1' | H | 6.183 | 0.000 | |
178 | 1 | 12 | DG | H2' | H | 2.629 | 0.000 | |
179 | 1 | 12 | DG | H2'' | H | 2.387 | 0.000 | |
180 | 1 | 12 | DG | H3' | H | 4.687 | 0.000 | |
181 | 1 | 12 | DG | H4' | H | 4.182 | 0.000 | |
182 | 1 | 12 | DG | H5' | H | 4.102 | 0.000 | |
183 | 1 | 12 | DG | H8 | H | 7.954 | 0.000 | |
184 | 1 | 12 | DG | C1' | C | 82.254 | 0.000 | |
185 | 1 | 12 | DG | C2' | C | 39.153 | 0.000 | |
186 | 1 | 12 | DG | C3' | C | 70.658 | 0.000 | |
187 | 1 | 12 | DG | C4' | C | 85.310 | 0.000 | |
188 | 1 | 12 | DG | C5' | C | 64.442 | 0.000 | |
189 | 1 | 12 | DG | C8 | C | 136.852 | 0.000 | |
190 | 1 | 12 | DG | P | P | -0.871 | 0.000 |