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NMR structure of a DNA G-quadruplex containing two SP1 binding sites from HIV-1 promoter
Authors
Marquevielle, J., Amrane, S.
Assembly
DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*GP*TP*GP*GP*CP*CP*TP*GP*GP*GP*CP*GP*GP*G)-3')
Entity
1. DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*GP*TP*GP*GP*CP*CP*TP*GP*GP*GP*CP*GP*GP*G)-3'), entity 1 (polymer, Thiol state: not present), 22 monomers, 7033.432 Da Detail

AGGGAGGTGT GGCCTGGGCG GG


2. DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*GP*TP*GP*GP*CP*CP*TP*GP*GP*GP*CP*GP*GP*G)-3'), entity K (non-polymer), 39.098 × 2 Da
Total weight
7111.628 Da
Max. entity weight
7033.432 Da
Source organism
Human immunodeficiency virus 1
Exptl. method
solution NMR
Data set
assigned_chemical_shifts, spectral_peak_list
Chemcal Shifts
1H: 208, 13C: 108 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111DAH1'H5.966500.00255
211DAH2H7.266000
311DAH2'H1.858570.00444
411DAH2''H2.418570.00529
511DAH3'H4.562000
611DAH4'H3.729140.00210
711DAH5'H2.864120.00989
811DAH5''H3.236500.00497
911DAH8H7.826850.00199
1011DAC1'C84.769000
1111DAC2C150.82200
1211DAC2'C40.069000
1311DAC4'C85.473000
1411DAC5'C60.944000
1511DAC8C138.33800
1612DGH1H11.204570.00405
1712DGH1'H5.957090.00223
1812DGH2'H2.854000.00273
1912DGH2''H3.547400.00338
2012DGH3'H4.796000.00141
2112DGH4'H4.332330.00499
2212DGH5'H4.124500.000500000
2312DGH5''H4.203200.00426
2412DGH8H7.281530.00393
2512DGH21H8.912670.00850
2612DGC1'C86.650000
2712DGC4'C85.070000
2812DGC8C139.08300
2913DGH1H11.749250.00373
3013DGH1'H5.721250.00323
3113DGH2'H2.518000.00524
3213DGH2''H2.649380.00760
3313DGH3'H4.932330.00364
3413DGH4'H4.332600.00314
3513DGH5'H4.123500.00150
3613DGH5''H4.123500.00150
3713DGH8H7.962190.00210
3813DGH21H10.165500.00112
3913DGC1'C80.633000
4013DGC2'C39.239000
4113DGC3'C76.261000
4213DGC4'C84.141000
4313DGC8C135.55600
4414DGH1H11.108110.00578
4514DGH1'H5.735900.00785
4614DGH2'H1.774440.00497
4714DGH2''H2.393290.00459
4814DGH3'H4.771000.00400
4914DGH4'H4.287600.00185
5014DGH5'H4.119000.00443
5114DGH5''H4.119000.00443
5214DGH8H7.139540.00221
5314DGH21H9.029000
5414DGC1'C82.321000
5514DGC2'C39.076000
5614DGC4'C84.527000
5714DGC5'C64.851000
5814DGC8C133.83200
5915DAH1'H5.725830.00467
6015DAH2H7.712430.00256
6115DAH2'H2.242600.00709
6215DAH2''H2.299600.00233
6315DAH3'H4.760000.00100
6415DAH4'H4.151750.00217
6515DAH5'H3.925000.00551
6615DAH5''H3.979140.00285
6715DAH8H7.730850.00156
6815DAC1'C86.285000
6915DAC2C152.04900
7015DAC2'C36.371000
7115DAC4'C84.164000
7215DAC8C137.67100
7316DGH1'H5.218140.000989743
7416DGH2'H2.138500.00161
7516DGH2''H2.138500.00161
7616DGH3'H4.568500.00150
7716DGH4'H3.977000.00141
7816DGH5'H3.827000.00458
7916DGH5''H3.916000.00308
8016DGH8H7.485080.00119
8116DGC1'C82.035000
8216DGC2'C37.017000
8316DGC4'C83.494000
8416DGC5'C65.171000
8516DGC8C136.16000
8617DGH1'H5.607000.000707107
8717DGH2'H2.142140.00259
8817DGH2''H2.297570.00256
8917DGH3'H4.592000.00300
9017DGH4'H3.973860.00125
9117DGH5'H3.689330.00468
9217DGH5''H3.748870.00588
9317DGH8H7.573360.000771389
9417DGC1'C83.076000
9517DGC2'C38.269000
9617DGC4'C83.575000
9717DGC5'C65.308000
9817DGC8C136.91300
9918DTH1'H5.480080.00468
10018DTH2'H1.741000.00211
10118DTH2''H2.079110.00517
10218DTH3'H4.361880.00355
10318DTH4'H3.856730.00114
10418DTH5'H3.352800.00481
10518DTH5''H3.646250.00244
10618DTH6H6.914420.00263
10718DTH71H1.167750.00347
10818DTH72H1.167750.00347
10918DTH73H1.167750.00347
11018DTC1'C84.142000
11118DTC3'C74.997000
11218DTC4'C83.726000
11318DTC5'C65.501000
11418DTC6C136.15700
11518DTC7C91.233000
11619DGH1H11.052230.00291
11719DGH1'H6.224800.00194
11819DGH2'H2.626570.00456
11919DGH2''H3.646000.00705
12019DGH3'H4.934250.01076
12119DGH4'H4.469500.00304
12219DGH5'H3.919400.000489898
12319DGH5''H4.133400.00338
12419DGH8H7.431190.00405
12519DGC1'C86.864000
12619DGC2'C34.901000
12719DGC3'C76.728000
12819DGC5'C65.550000
12919DGC8C139.14400
130110DTH1'H6.375000.00200
131110DTH2'H2.327750.00286
132110DTH2''H2.541000.00453
133110DTH3'H4.916500.00150
134110DTH4'H4.376000.00141
135110DTH5'H4.067620.00576
136110DTH5''H4.228500.00912
137110DTH6H7.719250.00156
138110DTH71H1.813000.00200
139110DTH72H1.813000.00200
140110DTH73H1.813000.00200
141110DTC1'C84.996000
142110DTC2'C38.129000
143110DTC3'C76.454000
144110DTC4'C85.234000
145110DTC5'C65.814000
146110DTC6C137.31900
147110DTC7C91.723000
148111DGH1H11.525290.00789
149111DGH1'H5.751500.00250
150111DGH2'H2.609500.00345
151111DGH2''H2.802000.00558
152111DGH3'H4.748500.00206
153111DGH4'H4.466000.00163
154111DGH5'H4.099400.00150
155111DGH5''H4.289000.00294
156111DGH8H7.162250.00309
157111DGC1'C82.125000
158111DGC4'C83.877000
159111DGC5'C66.804000
160111DGC8C138.11000
161112DGH1H11.901250.00179
162112DGH1'H5.826330.00531
163112DGH2'H2.229130.00348
164112DGH2''H2.502890.00345
165112DGH3'H4.974830.00267
166112DGH4'H4.288250.000829156
167112DGH5'H4.098000.00392
168112DGH5''H4.098000.00392
169112DGH8H7.920940.000998268
170112DGH21H9.508000
171112DGC1'C80.630000
172112DGC3'C76.258000
173112DGC4'C85.804000
174112DGC8C134.75000
175113DCH1'H6.201850.00196
176113DCH2'H1.908110.00401
177113DCH2''H2.424250.00441
178113DCH3'H4.636670.00125
179113DCH4'H4.329400.00185
180113DCH5H6.064500.00250
181113DCH5'H3.958430.00272
182113DCH5''H4.057000.00273
183113DCH6H7.941220.00140
184113DCC1'C86.527000
185113DCC2'C39.450000
186113DCC4'C85.631000
187113DCC5'C65.282000
188113DCC6C141.19800
189114DCH1'H5.867200.00286
190114DCH2'H1.327360.00394
191114DCH2''H2.172000.00410
192114DCH3'H4.482250.000433013
193114DCH4'H4.023290.000880631
194114DCH5H5.389110.00608
195114DCH5'H3.706330.00353
196114DCH5''H3.816110.00303
197114DCH6H7.275830.00172
198114DCC1'C85.481000
199114DCC2'C37.434000
200114DCC3'C76.017000
201114DCC4'C84.274000
202114DCC5'C64.698000
203114DCC6C140.14600
204115DTH1'H5.636700.00190
205115DTH2'H2.299000.00194
206115DTH3'H4.718670.000471405
207115DTH4'H3.972430.00329
208115DTH5'H3.721250.00630
209115DTH5''H3.813500.00792
210115DTH6H7.063230.00148
211115DTH71H0.984250.00334
212115DTH72H0.984250.00334
213115DTH73H0.984250.00334
214115DTC1'C83.418000
215115DTC2'C34.904000
216115DTC4'C84.306000
217115DTC5'C64.907000
218115DTC6C135.44400
219115DTC7C91.104000
220116DGH1H11.513830.00607
221116DGH1'H6.017600.00180
222116DGH2'H2.937670.00591
223116DGH2''H3.329730.00429
224116DGH3'H4.823670.000942809
225116DGH4'H4.379000.00158
226116DGH5'H4.152330.00111
227116DGH5''H4.248430.00893
228116DGH8H7.383200.00111
229116DGC1'C86.726000
230116DGC4'C84.441000
231116DGC8C139.30100
232117DGH1H11.422750.000829156
233117DGH1'H5.893250.00254
234117DGH2'H2.459670.00424
235117DGH2''H2.727000.00467
236117DGH3'H4.957380.00328
237117DGH4'H4.371000.00324
238117DGH5'H4.085140.00405
239117DGH5''H4.315000.00753
240117DGH8H7.834500.000866025
241117DGH21H9.511000.00784
242117DGC1'C80.932000
243117DGC2'C40.020000
244117DGC3'C75.948000
245117DGC4'C84.067000
246117DGC8C135.79400
247118DGH1H10.994000.00196
248118DGH1'H6.359710.00243
249118DGH2'H2.548800.00640
250118DGH2''H2.601800.00542
251118DGH3'H5.019000.00245
252118DGH4'H4.583250.00238
253118DGH5'H4.236000.00561
254118DGH5''H4.236000.00561
255118DGH8H7.730000.00283
256118DGH21H9.009000
257118DGC1'C82.892000
258118DGC3'C78.851000
259118DGC5'C66.713000
260118DGC8C135.71400
261119DCH1'H6.381430.00266
262119DCH2'H2.225400.00174
263119DCH2''H2.722200.00133
264119DCH3'H5.001620.00335
265119DCH4'H4.726670.00368
266119DCH5H6.064000.00200
267119DCH5'H4.255500.00439
268119DCH5''H4.255500.00439
269119DCH6H7.909380.00122
270119DCC1'C86.098000
271119DCC2'C39.285000
272119DCC3'C77.328000
273119DCC5'C65.780000
274119DCC6C141.10700
275120DGH1H11.431000.00497
276120DGH1'H5.925700.00279
277120DGH2'H2.721290.00225
278120DGH2''H2.892710.00465
279120DGH3'H5.010500.00206
280120DGH4'H4.333000.00100000
281120DGH5'H4.127000.00308
282120DGH5''H4.127000.00308
283120DGH8H7.177000.00118
284120DGC1'C86.880000
285120DGC3'C77.469000
286120DGC4'C84.326000
287120DGC5'C65.951000
288120DGC8C137.84700
289121DGH1H11.661860.00181
290121DGH1'H5.801620.00149
291121DGH2'H2.602330.00236
292121DGH2''H2.602330.00236
293121DGH3'H4.996330.00531
294121DGH4'H4.547000.00141
295121DGH5'H4.124400.00258
296121DGH5''H4.341200.00449
297121DGH8H8.097570.00261
298121DGH21H9.902000.01500
299121DGC1'C80.311000
300121DGC2'C39.399000
301121DGC3'C75.929000
302121DGC8C136.58800
303122DGH1H11.369900.00291
304122DGH1'H6.324000.00442
305122DGH2'H2.381170.00308
306122DGH2''H2.466830.00609
307122DGH3'H4.597000.00100
308122DGH4'H4.308500.00695
309122DGH5'H4.142400.00585
310122DGH5''H4.196500.00275
311122DGH8H7.654310.000461538
312122DGC1'C82.733000
313122DGC2'C40.784000
314122DGC4'C85.960000
315122DGC5'C66.333000
316122DGC8C134.64600

Release date
2020-10-11
Citation
Structure of a DNA G-quadruplex that Modulates SP1 Binding Sites Architecture in HIV-1 Promoter
Marquevielle, J., Bouaziz, S., Vialet, B., Andreola, M., Mergny, J., Amrane, S., De Rache, A.
J. Mol. Biol. (2024), 436, 168359-168359, PubMed 37952768 , DOI 10.1016/j.jmb.2023.168359 ,
Experiments performed 5 experiments Detail
nullKeywords DNA, G-quadruplex, HIV-1, SP1, Virus