BMRB: 36673

Solution structure of free TMPRSS2 promoter G-quadruplex

Authors

Wang, K.B.

Assembly

DNA G-quadruplex

Entity

1. DNA G-quadruplex (polymer, Thiol state: not present), 23 monomers, 7307.603 Da Detail

TCTGGGCGGG CGAGGGCGGG AGC

Formula weight

7307.603 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 209 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DT	H1'	H	5.89		1
2	1	1	DT	H2'	H	2.02
3	1	1	DT	H2''	H	2.30
4	1	1	DT	H3'	H	4.51		1
5	1	1	DT	H4'	H	3.85		1
6	1	1	DT	H5'	H	3.58
7	1	1	DT	H5''	H	3.58
8	1	1	DT	H6	H	7.46		1
9	1	1	DT	H71	H	1.70		1
10	1	1	DT	H72	H	1.70		1
11	1	1	DT	H73	H	1.70		1
12	1	2	DC	H1'	H	5.78		1
13	1	2	DC	H2'	H	1.93
14	1	2	DC	H2''	H	2.38
15	1	2	DC	H3'	H	4.67		1
16	1	2	DC	H4'	H	4.15		1
17	1	2	DC	H5	H	5.72		1
18	1	2	DC	H5'	H	3.73
19	1	2	DC	H5''	H	3.81
20	1	2	DC	H6	H	7.55		1
21	1	3	DT	H1'	H	5.99		1
22	1	3	DT	H2'	H	2.28
23	1	3	DT	H2''	H	2.46
24	1	3	DT	H3'	H	4.77		1
25	1	3	DT	H4'	H	4.17		1
26	1	3	DT	H5'	H	3.79
27	1	3	DT	H5''	H	3.85
28	1	3	DT	H6	H	7.51		1
29	1	3	DT	H71	H	1.63		1
30	1	3	DT	H72	H	1.63		1
31	1	3	DT	H73	H	1.63		1
32	1	4	DG	H1	H	12.08		1
33	1	4	DG	H1'	H	6.19		1
34	1	4	DG	H2'	H	2.84
35	1	4	DG	H2''	H	3.07
36	1	4	DG	H3'	H	5.00		1
37	1	4	DG	H4'	H	4.51		1
38	1	4	DG	H5'	H	4.16
39	1	4	DG	H5''	H	4.16
40	1	4	DG	H8	H	8.12		1
41	1	5	DG	H1	H	11.45		1
42	1	5	DG	H1'	H	6.26		1
43	1	5	DG	H2'	H	2.69
44	1	5	DG	H2''	H	2.99
45	1	5	DG	H3'	H	5.09		1
46	1	5	DG	H4'	H	4.64		1
47	1	5	DG	H5'	H	4.37
48	1	5	DG	H5''	H	4.37
49	1	5	DG	H8	H	7.83		1
50	1	6	DG	H1	H	11.23		1
51	1	6	DG	H1'	H	6.52		1
52	1	6	DG	H2'	H	2.83
53	1	6	DG	H2''	H	2.68
54	1	6	DG	H3'	H	5.18		1
55	1	6	DG	H4'	H	4.71		1
56	1	6	DG	H5'	H	4.37
57	1	6	DG	H5''	H	4.46
58	1	6	DG	H8	H	7.85		1
59	1	7	DC	H1'	H	6.56		1
60	1	7	DC	H2'	H	2.49
61	1	7	DC	H2''	H	2.80
62	1	7	DC	H3'	H	5.17		1
63	1	7	DC	H4'	H	4.71		1
64	1	7	DC	H5	H	6.25		1
65	1	7	DC	H5'	H	4.37
66	1	7	DC	H5''	H	4.47
67	1	7	DC	H6	H	8.08		1
68	1	8	DG	H1	H	11.75		1
69	1	8	DG	H1'	H	6.20		1
70	1	8	DG	H2'	H	2.52
71	1	8	DG	H2''	H	2.98
72	1	8	DG	H3'	H	5.24		1
73	1	8	DG	H4'	H	4.55		1
74	1	8	DG	H5'	H	4.35
75	1	8	DG	H5''	H	4.43
76	1	8	DG	H8	H	8.07		1
77	1	9	DG	H1	H	11.73		1
78	1	9	DG	H1'	H	6.19		1
79	1	9	DG	H2'	H	2.79
80	1	9	DG	H2''	H	2.93
81	1	9	DG	H3'	H	5.14		1
82	1	9	DG	H4'	H	4.61		1
83	1	9	DG	H5'	H	4.37
84	1	9	DG	H5''	H	4.30
85	1	9	DG	H8	H	8.09		1
86	1	10	DG	H1	H	11.52		1
87	1	10	DG	H1'	H	6.48		1
88	1	10	DG	H2'	H	2.70
89	1	10	DG	H2''	H	2.64
90	1	10	DG	H3'	H	5.02		1
91	1	10	DG	H4'	H	4.58		1
92	1	10	DG	H5'	H	4.25
93	1	10	DG	H5''	H	4.31
94	1	10	DG	H8	H	7.94		1
95	1	11	DC	H1'	H	6.27		1
96	1	11	DC	H2'	H	2.23
97	1	11	DC	H2''	H	2.59
98	1	11	DC	H3'	H	4.83		1
99	1	11	DC	H4'	H	4.11		1
100	1	11	DC	H5	H	6.16		1
101	1	11	DC	H5'	H	3.85
102	1	11	DC	H5''	H	3.94
103	1	11	DC	H6	H	7.87		1
104	1	12	DG	H1'	H	6.19		1
105	1	12	DG	H2'	H	2.84
106	1	12	DG	H2''	H	2.73
107	1	12	DG	H3'	H	5.09		1
108	1	12	DG	H4'	H	4.56		1
109	1	12	DG	H5'	H	4.20
110	1	12	DG	H5''	H	4.25
111	1	12	DG	H8	H	8.06		1
112	1	13	DA	H1'	H	6.46		1
113	1	13	DA	H2	H	8.16		1
114	1	13	DA	H2'	H	2.72
115	1	13	DA	H2''	H	2.72
116	1	13	DA	H3'	H	5.11		1
117	1	13	DA	H4'	H	4.63		1
118	1	13	DA	H5'	H	4.25
119	1	13	DA	H5''	H	4.32
120	1	13	DA	H8	H	8.43		1
121	1	14	DG	H1	H	12.01		1
122	1	14	DG	H1'	H	6.23		1
123	1	14	DG	H2'	H	2.85
124	1	14	DG	H2''	H	3.11
125	1	14	DG	H3'	H	5.12		1
126	1	14	DG	H4'	H	4.55		1
127	1	14	DG	H5'	H	4.14
128	1	14	DG	H5''	H	4.24
129	1	14	DG	H8	H	8.18		1
130	1	15	DG	H1	H	11.48		1
131	1	15	DG	H1'	H	6.30		1
132	1	15	DG	H2'	H	2.80
133	1	15	DG	H2''	H	3.05
134	1	15	DG	H3'	H	5.10		1
135	1	15	DG	H4'	H	4.66		1
136	1	15	DG	H5'	H	4.33
137	1	15	DG	H5''	H	4.39
138	1	15	DG	H8	H	7.90		1
139	1	16	DG	H1	H	11.41		1
140	1	16	DG	H1'	H	6.55		1
141	1	16	DG	H2'	H	2.80
142	1	16	DG	H2''	H	2.66
143	1	16	DG	H3'	H	5.18		1
144	1	16	DG	H4'	H	4.72		1
145	1	16	DG	H5'	H	4.38
146	1	16	DG	H5''	H	4.50
147	1	16	DG	H8	H	7.92		1
148	1	17	DC	H1'	H	6.56		1
149	1	17	DC	H2'	H	2.49
150	1	17	DC	H2''	H	2.80
151	1	17	DC	H3'	H	5.17		1
152	1	17	DC	H4'	H	4.72		1
153	1	17	DC	H5	H	6.25		1
154	1	17	DC	H5'	H	4.37
155	1	17	DC	H5''	H	4.47
156	1	17	DC	H6	H	8.08		1
157	1	18	DG	H1	H	11.74		1
158	1	18	DG	H1'	H	6.15		1
159	1	18	DG	H2'	H	2.45
160	1	18	DG	H2''	H	2.91
161	1	18	DG	H3'	H	5.21		1
162	1	18	DG	H4'	H	4.52		1
163	1	18	DG	H5'	H	4.34
164	1	18	DG	H5''	H	4.42
165	1	18	DG	H8	H	8.02		1
166	1	19	DG	H1	H	11.55		1
167	1	19	DG	H1'	H	6.06		1
168	1	19	DG	H2'	H	2.74
169	1	19	DG	H2''	H	2.82
170	1	19	DG	H3'	H	5.14		1
171	1	19	DG	H4'	H	4.56		1
172	1	19	DG	H5'	H	4.26
173	1	19	DG	H5''	H	4.32
174	1	19	DG	H8	H	8.07		1
175	1	20	DG	H1	H	10.98		1
176	1	20	DG	H1'	H	5.96		1
177	1	20	DG	H2'	H	2.38
178	1	20	DG	H2''	H	2.69
179	1	20	DG	H3'	H	5.03		1
180	1	20	DG	H4'	H	4.56		1
181	1	20	DG	H5'	H	4.26
182	1	20	DG	H5''	H	4.32
183	1	20	DG	H8	H	7.56		1
184	1	21	DA	H1'	H	5.81		1
185	1	21	DA	H2	H	7.49		1
186	1	21	DA	H2'	H	2.41
187	1	21	DA	H2''	H	2.56
188	1	21	DA	H3'	H	4.98		1
189	1	21	DA	H4'	H	4.39		1
190	1	21	DA	H5'	H	4.21
191	1	21	DA	H5''	H	4.21
192	1	21	DA	H8	H	8.02		1
193	1	22	DG	H1'	H	5.70		1
194	1	22	DG	H2'	H	2.49
195	1	22	DG	H2''	H	2.40
196	1	22	DG	H3'	H	4.86		1
197	1	22	DG	H4'	H	4.12		1
198	1	22	DG	H5'	H	4.05
199	1	22	DG	H5''	H	4.08
200	1	22	DG	H8	H	7.79		1
201	1	23	DC	H1'	H	6.04		1
202	1	23	DC	H2'	H	2.14
203	1	23	DC	H2''	H	2.28
204	1	23	DC	H3'	H	4.45		1
205	1	23	DC	H4'	H	4.02		1
206	1	23	DC	H5	H	5.70		1
207	1	23	DC	H5'	H	3.96
208	1	23	DC	H5''	H	3.97
209	1	23	DC	H6	H	7.58		1

Release date

2026-03-30

Citation

Structural basis of the major TMPRSS2 promoter G-quadruplex and its complex with berberine
Tang, Z.Y., Li, S.R., Bian, Y.T., Chen, Z.Y., Wang, Y.Y., Zhang, Y.Q., Li, Y.P., Liu, Y.S., Yang, M.H., Kong, L.Y., Wang, K.B.
Chin. J. Nat. Med. (2026), 24, 237-246, PubMed 41708255 , DOI 10.1016/S1875-5364(26)61094-1 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 5 experiments Detail

Chemical shift validation 4 contents Detail