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BMRB: 31252

Solution structure of the major PDGFRB promoter G-quadruplex with a broken-strand G22 fill-in

Authors

Assembly

DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*G)-3')

Entity

1. DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*G)-3') (polymer, Thiol state: not present), 22 monomers, 7076.473 Da Detail

AAGGGAGGGC GGCGGGGCAG GG

Formula weight

7076.473 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 201, ¹³C: 129 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DA	H1'	H	6.117	0.002	1
2	1	1	DA	H2	H	7.818	0.001	1
3	1	1	DA	H2'	H	2.420	0.001	2
4	1	1	DA	H2''	H	2.335	0.003	2
5	1	1	DA	H3'	H	4.677	0.002	1
6	1	1	DA	H4'	H	4.026	0.001	1
7	1	1	DA	H5'	H	3.545	0.002	2
8	1	1	DA	H5''	H	3.545	0.002	2
9	1	1	DA	H8	H	7.983	0.001	1
10	1	1	DA	C1'	C	88.416		1
11	1	1	DA	C2	C	154.258		1
12	1	1	DA	C2'	C	40.842		1
13	1	1	DA	C3'	C	79.168		1
14	1	1	DA	C4'	C	89.840		1
15	1	1	DA	C5'	C	64.536		1
16	1	1	DA	C8	C	142.904		1
17	1	2	DA	H1'	H	5.907	0.002	1
18	1	2	DA	H2	H	7.823	0.002	1
19	1	2	DA	H2'	H	2.250	0.002	2
20	1	2	DA	H2''	H	2.588	0.003	2
21	1	2	DA	H3'	H	4.843	0.002	1
22	1	2	DA	H4'	H	4.152	0.001	1
23	1	2	DA	H5'	H	3.863	0.002	2
24	1	2	DA	H5''	H	3.545	0.002	2
25	1	2	DA	H8	H	7.900	0.001	1
26	1	2	DA	C1'	C	87.289		1
27	1	2	DA	C2	C	154.569		1
28	1	2	DA	C2'	C	42.444		1
29	1	2	DA	C4'	C	86.687		1
30	1	2	DA	C5'	C	68.096		1
31	1	2	DA	C8	C	140.996		1
32	1	3	DG	H1	H	11.841	0.001	1
33	1	3	DG	H1'	H	6.114	0.002	1
34	1	3	DG	H2'	H	2.807	0.002	2
35	1	3	DG	H2''	H	3.036	0.003	2
36	1	3	DG	H3'	H	4.994	0.001	1
37	1	3	DG	H4'	H	4.484	0.001	1
38	1	3	DG	H5'	H	4.019	0.001	2
39	1	3	DG	H5''	H	4.146	0.002	2
40	1	3	DG	H8	H	8.026	0.001	1
41	1	3	DG	C1'	C	84.447		1
42	1	3	DG	C2'	C	39.922	0.002	1
43	1	3	DG	C3'	C	79.732		1
44	1	3	DG	C4'	C	88.332		1
45	1	3	DG	C5'	C	69.752	0.002	1
46	1	3	DG	C8	C	137.867		1
47	1	4	DG	H1	H	11.311	0.002	1
48	1	4	DG	H1'	H	6.223	0.001	1
49	1	4	DG	H2'	H	2.681	0.002	2
50	1	4	DG	H2''	H	2.990	0.002	2
51	1	4	DG	H3'	H	5.063	0.002	1
52	1	4	DG	H4'	H	4.592	0.002	1
53	1	4	DG	H5'	H	4.321	0.002	2
54	1	4	DG	H5''	H	4.321	0.002	2
55	1	4	DG	H8	H	7.723	0.001	1
56	1	4	DG	H21	H	6.672		1
57	1	4	DG	H22	H	9.228		1
58	1	4	DG	C1'	C	84.520		1
59	1	4	DG	C3'	C	79.263		1
60	1	4	DG	C4'	C	87.204		1
61	1	4	DG	C5'	C	68.054		1
62	1	4	DG	C8	C	137.194		1
63	1	5	DG	H1	H	11.175	0.002	1
64	1	5	DG	H1'	H	6.481	0.002	1
65	1	5	DG	H2'	H	2.653	0.001	2
66	1	5	DG	H2''	H	2.816	0.003	2
67	1	5	DG	H3'	H	5.173	0.001	1
68	1	5	DG	H4'	H	4.667	0.002	1
69	1	5	DG	H5'	H	4.425	0.002	2
70	1	5	DG	H5''	H	4.373	0.001	2
71	1	5	DG	H8	H	7.858	0.002	1
72	1	5	DG	C1'	C	85.172		1
73	1	5	DG	C2'	C	41.495		1
74	1	5	DG	C3'	C	81.161		1
75	1	5	DG	C4'	C	85.669		1
76	1	5	DG	C5'	C	69.061	0.001	1
77	1	5	DG	C8	C	137.718		1
78	1	6	DA	H1'	H	6.687	0.001	1
79	1	6	DA	H2	H	8.321		1
80	1	6	DA	H2'	H	2.928	0.002	2
81	1	6	DA	H2''	H	2.928	0.002	2
82	1	6	DA	H3'	H	5.235	0.002	1
83	1	6	DA	H4'	H	4.722	0.002	1
84	1	6	DA	H5'	H	4.669		2
85	1	6	DA	H5''	H	4.323	0.003	2
86	1	6	DA	H8	H	8.555	0.001	1
87	1	6	DA	C1'	C	86.485		1
88	1	6	DA	C2	C	155.482		1
89	1	6	DA	C2'	C	42.300		1
90	1	6	DA	C3'	C	79.307		1
91	1	6	DA	C4'	C	87.645		1
92	1	6	DA	C5'	C	68.714		1
93	1	6	DA	C8	C	142.456		1
94	1	7	DG	H1	H	11.495	0.003	1
95	1	7	DG	H1'	H	6.098	0.002	1
96	1	7	DG	H2'	H	2.440	0.004	2
97	1	7	DG	H2''	H	2.924	0.002	2
98	1	7	DG	H3'	H	5.143	0.002	1
99	1	7	DG	H4'	H	4.507	0.002	1
100	1	7	DG	H5'	H	4.305	0.002	2
101	1	7	DG	H5''	H	4.405	0.002	2
102	1	7	DG	H8	H	7.959	0.002	1
103	1	7	DG	C1'	C	87.130		1
104	1	7	DG	C2'	C	43.963	0.001	1
105	1	7	DG	C3'	C	79.127		1
106	1	7	DG	C4'	C	87.331		1
107	1	7	DG	C5'	C	68.054		1
108	1	7	DG	C8	C	137.265		1
109	1	8	DG	H1	H	11.443	0.001	1
110	1	8	DG	H1'	H	6.191	0.001	1
111	1	8	DG	H2'	H	2.961	0.001	2
112	1	8	DG	H2''	H	2.651	0.001	2
113	1	8	DG	H3'	H	5.088	0.002	1
114	1	8	DG	H4'	H	4.401	0.001	1
115	1	8	DG	H5'	H	4.292	0.002	1
116	1	8	DG	H5''	H	4.292	0.002	1
117	1	8	DG	H8	H	7.877	0.002	1
118	1	8	DG	H21	H	6.506		1
119	1	8	DG	H22	H	8.904		1
120	1	8	DG	C1'	C	84.342		1
121	1	8	DG	C2'	C	42.998	0.006	1
122	1	8	DG	C3'	C	79.329		1
123	1	8	DG	C5'	C	68.389		1
124	1	8	DG	C8	C	138.071		1
125	1	9	DG	H1	H	10.602	0.004	1
126	1	9	DG	H1'	H	6.460	0.002	1
127	1	9	DG	H2'	H	2.654	0.003	2
128	1	9	DG	H2''	H	2.772	0.005	2
129	1	9	DG	H3'	H	5.132	0.001	1
130	1	9	DG	H4'	H	4.669	0.004	1
131	1	9	DG	H5'	H	4.320	0.002	2
132	1	9	DG	H5''	H	4.399	0.002	2
133	1	9	DG	H8	H	7.826	0.002	1
134	1	9	DG	H21	H	8.875		1
135	1	9	DG	H22	H	6.910		1
136	1	9	DG	C1'	C	84.915		1
137	1	9	DG	C2'	C	41.240	0.005	1
138	1	9	DG	C3'	C	81.300		1
139	1	9	DG	C4'	C	85.424		1
140	1	9	DG	C5'	C	69.188		1
141	1	9	DG	C8	C	137.607		1
142	1	10	DC	H1'	H	6.482	0.002	1
143	1	10	DC	H2'	H	2.440	0.001	2
144	1	10	DC	H2''	H	2.785	0.002	2
145	1	10	DC	H3'	H	5.092	0.001	1
146	1	10	DC	H4'	H	4.535	0.002	1
147	1	10	DC	H5	H	6.191	0.0	1
148	1	10	DC	H5'	H	4.326	0.003	2
149	1	10	DC	H5''	H	4.421	0.001	2
150	1	10	DC	H6	H	8.024	0.001	1
151	1	10	DC	C1'	C	88.535		1
152	1	10	DC	C3'	C	77.794		1
153	1	10	DC	C4'	C	87.228		1
154	1	10	DC	C5	C	99.416		1
155	1	10	DC	C5'	C	67.504		1
156	1	10	DC	C6	C	144.031		1
157	1	11	DG	H1	H	11.647	0.001	1
158	1	11	DG	H1'	H	6.233	0.002	1
159	1	11	DG	H2'	H	2.965	0.002	2
160	1	11	DG	H2''	H	2.441	0.003	2
161	1	11	DG	H3'	H	5.189	0.002	1
162	1	11	DG	H4'	H	4.521	0.003	1
163	1	11	DG	H5'	H	4.223	0.004	2
164	1	11	DG	H5''	H	4.361	0.002	2
165	1	11	DG	H8	H	8.039	0.001	1
166	1	11	DG	C1'	C	86.616		1
167	1	11	DG	C2'	C	43.983		1
168	1	11	DG	C3'	C	81.093		1
169	1	11	DG	C4'	C	87.898		1
170	1	11	DG	C5'	C	69.230		1
171	1	11	DG	C8	C	137.873		1
172	1	12	DG	H1	H	11.215	0.002	1
173	1	12	DG	H1'	H	6.259	0.001	1
174	1	12	DG	H2'	H	2.679	0.003	2
175	1	12	DG	H2''	H	2.908	0.002	2
176	1	12	DG	H3'	H	5.182	0.002	1
177	1	12	DG	H4'	H	4.657	0.001	1
178	1	12	DG	H5'	H	4.368	0.001	2
179	1	12	DG	H5''	H	4.221	0.002	2
180	1	12	DG	H8	H	7.881	0.002	1
181	1	12	DG	C1'	C	84.184		1
182	1	12	DG	C2'	C	41.462		1
183	1	12	DG	C3'	C	79.448		1
184	1	12	DG	C4'	C	86.811		1
185	1	12	DG	C5'	C	68.747		1
186	1	12	DG	C8	C	137.637		1
187	1	13	DC	H1'	H	6.494	0.002	1
188	1	13	DC	H2'	H	2.377	0.002	2
189	1	13	DC	H2''	H	2.777	0.001	2
190	1	13	DC	H3'	H	5.123	0.002	1
191	1	13	DC	H4'	H	4.618	0.002	1
192	1	13	DC	H5	H	6.213	0.002	1
193	1	13	DC	H5'	H	4.527	0.001	2
194	1	13	DC	H5''	H	4.372	0.003	2
195	1	13	DC	H6	H	8.076	0.001	1
196	1	13	DC	C1'	C	89.225		1
197	1	13	DC	C2'	C	42.112		1
198	1	13	DC	C3'	C	79.874		1
199	1	13	DC	C4'	C	88.285		1
200	1	13	DC	C5	C	99.461		1
201	1	13	DC	C5'	C	68.704		1
202	1	13	DC	C6	C	144.180		1
203	1	14	DG	H1	H	11.364	0.004	1
204	1	14	DG	H1'	H	6.023	0.002	1
205	1	14	DG	H2'	H	2.543	0.003	2
206	1	14	DG	H2''	H	2.813	0.003	2
207	1	14	DG	H3'	H	4.875	0.002	1
208	1	14	DG	H4'	H	4.519	0.004	1
209	1	14	DG	H5'	H	4.290	0.001	2
210	1	14	DG	H5''	H	4.398	0.001	2
211	1	14	DG	H8	H	8.185	0.001	1
212	1	14	DG	C1'	C	88.297		1
213	1	14	DG	C2'	C	43.108		1
214	1	14	DG	C4'	C	87.037		1
215	1	14	DG	C5'	C	68.757		1
216	1	14	DG	C8	C	138.217		1
217	1	15	DG	H1	H	11.360	0.001	1
218	1	15	DG	H1'	H	6.067	0.001	1
219	1	15	DG	H2'	H	2.629	0.001	2
220	1	15	DG	H2''	H	2.857	0.002	2
221	1	15	DG	H3'	H	5.048	0.001	1
222	1	15	DG	H4'	H	4.583	0.002	1
223	1	15	DG	H5'	H	4.254	0.006	2
224	1	15	DG	H5''	H	4.220	0.007	2
225	1	15	DG	H8	H	7.871	0.002	1
226	1	15	DG	C1'	C	84.797		1
227	1	15	DG	C2'	C	43.091	0.006	1
228	1	15	DG	C3'	C	80.885		1
229	1	15	DG	C4'	C	87.671		1
230	1	15	DG	C5'	C	68.811	0.001	1
231	1	15	DG	C8	C	137.843		1
232	1	16	DG	H1	H	11.234	0.002	1
233	1	16	DG	H1'	H	6.020	0.001	1
234	1	16	DG	H2'	H	2.410	0.002	2
235	1	16	DG	H2''	H	2.859	0.001	2
236	1	16	DG	H3'	H	5.013	0.002	1
237	1	16	DG	H4'	H	4.499	0.003	1
238	1	16	DG	H5'	H	4.164	0.002	2
239	1	16	DG	H5''	H	4.329	0.0	2
240	1	16	DG	H8	H	7.436	0.001	1
241	1	16	DG	C1'	C	84.520		1
242	1	16	DG	C2'	C	40.288		1
243	1	16	DG	C3'	C	80.631		1
244	1	16	DG	C4'	C	87.451		1
245	1	16	DG	C5'	C	69.381		1
246	1	16	DG	C8	C	136.852		1
247	1	17	DG	H1'	H	5.819	0.002	1
248	1	17	DG	H2'	H	2.484	0.001	2
249	1	17	DG	H2''	H	2.563	0.003	2
250	1	17	DG	H3'	H	4.992	0.002	1
251	1	17	DG	H4'	H	4.295	0.002	1
252	1	17	DG	H5'	H	4.197	0.001	2
253	1	17	DG	H5''	H	4.197	0.001	2
254	1	17	DG	H8	H	7.683	0.002	1
255	1	17	DG	C1'	C	83.650		1
256	1	17	DG	C2'	C	41.136	0.005	1
257	1	17	DG	C3'	C	76.974		1
258	1	17	DG	C4'	C	86.331		1
259	1	17	DG	C5'	C	66.882		1
260	1	17	DG	C8	C	137.494		1
261	1	18	DC	H1'	H	5.993	0.003	1
262	1	18	DC	H2'	H	1.793	0.002	2
263	1	18	DC	H2''	H	2.249	0.002	2
264	1	18	DC	H3'	H	4.696	0.001	1
265	1	18	DC	H4'	H	4.194	0.002	1
266	1	18	DC	H5	H	6.009	0.001	1
267	1	18	DC	H5'	H	4.063	0.003	2
268	1	18	DC	H5''	H	3.962	0.002	2
269	1	18	DC	H6	H	7.660	0.001	1
270	1	18	DC	C1'	C	88.179		1
271	1	18	DC	C2'	C	40.215		1
272	1	18	DC	C3'	C	79.067		1
273	1	18	DC	C4'	C	86.870		1
274	1	18	DC	C5	C	99.150		1
275	1	18	DC	C5'	C	68.010	0.005	1
276	1	18	DC	C6	C	144.021		1
277	1	19	DA	H1'	H	5.848	0.002	1
278	1	19	DA	H2	H	7.948	0.0	1
279	1	19	DA	H2'	H	1.752	0.002	2
280	1	19	DA	H2''	H	1.928	0.002	2
281	1	19	DA	H3'	H	4.406	0.002	1
282	1	19	DA	H4'	H	3.955	0.002	1
283	1	19	DA	H5'	H	3.784	0.001	2
284	1	19	DA	H5''	H	3.737	0.001	2
285	1	19	DA	H8	H	7.866	0.002	1
286	1	19	DA	C1'	C	85.430		1
287	1	19	DA	C2	C	155.191		1
288	1	19	DA	C2'	C	39.685		1
289	1	19	DA	C3'	C	78.765		1
290	1	19	DA	C4'	C	87.562		1
291	1	19	DA	C5'	C	67.691		1
292	1	19	DA	C8	C	141.583		1
293	1	20	DG	H1'	H	5.074	0.001	1
294	1	20	DG	H2'	H	2.238	0.004	2
295	1	20	DG	H2''	H	1.846	0.002	2
296	1	20	DG	H3'	H	4.707	0.001	1
297	1	20	DG	H4'	H	3.839	0.003	1
298	1	20	DG	H5'	H	3.603	0.003	2
299	1	20	DG	H5''	H	3.574	0.01	2
300	1	20	DG	H8	H	7.040	0.003	1
301	1	20	DG	C1'	C	86.303		1
302	1	20	DG	C2'	C	37.561	0.001	1
303	1	20	DG	C4'	C	86.264		1
304	1	20	DG	C5'	C	67.101		1
305	1	21	DG	H1'	H	5.650	0.002	1
306	1	21	DG	H2'	H	2.094	0.003	1
307	1	21	DG	H2''	H	2.094	0.003	1
308	1	21	DG	H3'	H	4.519	0.002	1
309	1	21	DG	H4'	H	4.153	0.001	1
310	1	21	DG	H5'	H	3.845	0.003	2
311	1	21	DG	H5''	H	3.801	0.004	2
312	1	21	DG	H8	H	7.411	0.002	1
313	1	21	DG	C1'	C	84.656		1
314	1	21	DG	C3'	C	77.810		1
315	1	21	DG	C4'	C	87.677		1
316	1	21	DG	C5'	C	67.569	0.003	1
317	1	22	DG	H1	H	11.329	0.001	1
318	1	22	DG	H1'	H	6.452	0.003	1
319	1	22	DG	H2'	H	2.465	0.003	2
320	1	22	DG	H2''	H	2.779	0.002	2
321	1	22	DG	H3'	H	4.601	0.004	1
322	1	22	DG	H4'	H	4.507	0.005	1
323	1	22	DG	H5'	H	4.154	0.001	2
324	1	22	DG	H5''	H	4.369		2
325	1	22	DG	H8	H	7.512	0.002	1
326	1	22	DG	C1'	C	90.058		1
327	1	22	DG	C2'	C	44.729		1
328	1	22	DG	C3'	C	74.371		1
329	1	22	DG	C4'	C	89.647		1
330	1	22	DG	C8	C	137.283		1

Release date

2025-07-24

Citation 1

The major G-quadruplex formed in the human platelet-derived growth factor receptor β promoter adopts a novel broken-strand structure in K+ solution
Chen, Y., Agrawal, P., Brown, R.V., Hatzakis, E., Hurley, L., Yang, D.
J. Am. Chem. Soc. (2012), 134, 13220-13223, PubMed 22866911 , DOI 10.1021/ja305764d , Abstract

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Citation 2

Structures and dynamics of the major G-quadruplex in the human PDGFR-β gene promoter: insights into vacancy G-quadruplex formation
Han, Y., Dickerhoff, J., Yang, D.
Nucleic Acids Res. (2026), 54, PubMed 42695283 , DOI 10.1093/nar/gkag843 , Abstract

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Entries sharing articles BMRB: 1 entries Detail

BMRB: 31253 released on 2025-07-24
Title Solution structure of the major PDGFRB promoter G-quadruplex with a broken-strand G21 fill-in

Experiments performed 6 experiments Detail

1 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 75 mM potassium chloride, 25 mM potassium phosphate, 0.73 mM DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*G)-3'), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	potassium chloride	natural abundance	75 mM
2	potassium phosphate	natural abundance	25 mM
3	DNA (5'-D(APAPGPGPGPAPGPGPGPCPGPGPCPGPGPGPGPCPAPGPGPG)-3')	natural abundance	0.73 mM

2 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 7.0, Details 75 mM potassium chloride, 25 mM potassium phosphate, 0.73 mM DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*G)-3'), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	potassium chloride	natural abundance	75 mM
2	potassium phosphate	natural abundance	25 mM
3	DNA (5'-D(APAPGPGPGPAPGPGPGPCPGPGPCPGPGPGPGPCPAPGPGPG)-3')	natural abundance	0.73 mM

3 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	potassium chloride	natural abundance	75 mM
2	potassium phosphate	natural abundance	25 mM
3	DNA (5'-D(APAPGPGPGPAPGPGPGPCPGPGPCPGPGPGPGPCPAPGPGPG)-3')	natural abundance	0.73 mM

4 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 10 mM potassium phosphate, 1.63 mM DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*G)-3'), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	potassium phosphate	natural abundance		10 mM
5	DNA (5'-D(APAPGPGPGPAPGPGPGPCPGPGPCPGPGPGPGPCPAPGPGPG)-3')	natural abundance		1.63 mM

5 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
4	potassium phosphate	natural abundance		10 mM
5	DNA (5'-D(APAPGPGPGPAPGPGPGPCPGPGPCPGPGPGPGPCPAPGPGPG)-3')	natural abundance		1.63 mM

6 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.0, Details 75 mM potassium chloride, 25 mM potassium phosphate, 1.36 mM DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*G)-3'), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	potassium chloride	natural abundance	75 mM
7	potassium phosphate	natural abundance	25 mM
8	DNA (5'-D(APAPGPGPGPAPGPGPGPCPGPGPCPGPGPGPGPCPAPGPGPG)-3')	natural abundance	1.36 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31252_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr31252_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	330		100.0 (chain: 1, length: 22)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning
Sequence coverage of experimental data
- Entity_assembly_ID: 1, Chain length: 22, Sequence coverage: 100.0%
Total number of assignments
- ¹H chemical shifts: 201
- ¹³C chemical shifts: 129

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	DA	C1'	88.416
1	DA	C2	154.258
1	DA	C2'	40.842
1	DA	C3'	79.168
1	DA	C4'	89.84
1	DA	C5'	64.536
1	DA	C8	142.904
2	DA	C1'	87.289
2	DA	C2	154.569
2	DA	C2'	42.444
2	DA	C4'	86.687
2	DA	C5'	68.096
2	DA	C8	140.996
3	DG	C1'	84.447
3	DG	C2'	39.922
3	DG	C3'	79.732
3	DG	C4'	88.332
3	DG	C5'	69.752
3	DG	C8	137.867
4	DG	H21	6.672
4	DG	H22	9.228
4	DG	C1'	84.52
4	DG	C3'	79.263
4	DG	C4'	87.204
4	DG	C5'	68.054
4	DG	C8	137.194
5	DG	C1'	85.172
5	DG	C2'	41.495
5	DG	C3'	81.161
5	DG	C4'	85.669
5	DG	C5'	69.061
5	DG	C8	137.718
6	DA	C1'	86.485
6	DA	C2	155.482
6	DA	C2'	42.3
6	DA	C3'	79.307
6	DA	C4'	87.645
6	DA	C5'	68.714
6	DA	C8	142.456
7	DG	C1'	87.13
7	DG	C2'	43.963
7	DG	C3'	79.127
7	DG	C4'	87.331
7	DG	C5'	68.054
7	DG	C8	137.265
8	DG	H21	6.506
8	DG	H22	8.904
8	DG	C1'	84.342
8	DG	C2'	42.998
8	DG	C3'	79.329
8	DG	C5'	68.389
8	DG	C8	138.071
9	DG	H21	8.875
9	DG	H22	6.91
9	DG	C1'	84.915
9	DG	C2'	41.24
9	DG	C3'	81.3
9	DG	C4'	85.424
9	DG	C5'	69.188
9	DG	C8	137.607
10	DC	H5''	4.421
10	DC	C1'	88.535
10	DC	C3'	77.794
10	DC	C4'	87.228
10	DC	C5	99.416
10	DC	C5'	67.504
10	DC	C6	144.031
11	DG	C1'	86.616
11	DG	C2'	43.983
11	DG	C3'	81.093
11	DG	C4'	87.898
11	DG	C5'	69.23
11	DG	C8	137.873
12	DG	C1'	84.184
12	DG	C2'	41.462
12	DG	C3'	79.448
12	DG	C4'	86.811
12	DG	C5'	68.747
12	DG	C8	137.637
13	DC	H5''	4.372
13	DC	C1'	89.225
13	DC	C2'	42.112
13	DC	C3'	79.874
13	DC	C4'	88.285
13	DC	C5	99.461
13	DC	C5'	68.704
13	DC	C6	144.18
14	DG	C1'	88.297
14	DG	C2'	43.108
14	DG	C4'	87.037
14	DG	C5'	68.757
14	DG	C8	138.217
15	DG	C1'	84.797
15	DG	C2'	43.091
15	DG	C3'	80.885
15	DG	C4'	87.671
15	DG	C5'	68.811
15	DG	C8	137.843
16	DG	C1'	84.52
16	DG	C2'	40.288
16	DG	C3'	80.631
16	DG	C4'	87.451
16	DG	C5'	69.381
16	DG	C8	136.852
17	DG	C1'	83.65
17	DG	C2'	41.136
17	DG	C3'	76.974
17	DG	C4'	86.331
17	DG	C5'	66.882
17	DG	C8	137.494
18	DC	H5''	3.962
18	DC	C1'	88.179
18	DC	C2'	40.215
18	DC	C3'	79.067
18	DC	C4'	86.87
18	DC	C5	99.15
18	DC	C5'	68.01
18	DC	C6	144.021
19	DA	C1'	85.43
19	DA	C2	155.191
19	DA	C2'	39.685
19	DA	C3'	78.765
19	DA	C4'	87.562
19	DA	C5'	67.691
19	DA	C8	141.583
20	DG	C1'	86.303
20	DG	C2'	37.561
20	DG	C4'	86.264
20	DG	C5'	67.101
21	DG	C1'	84.656
21	DG	C3'	77.81
21	DG	C4'	87.677
21	DG	C5'	67.569
22	DG	C1'	90.058
22	DG	C2'	44.729
22	DG	C3'	74.371
22	DG	C4'	89.647
22	DG	C8	137.283

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	201	192	95.5

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	151	151	100.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	41	82.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	23	23	100.0

Histogram of normalized assigned chemical shifts

Keywords DNA, G-quadruplex DNA, PDGFRB

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BMRB: 31252

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 3 contents Detail