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Solution structure of a bimolecular quadruplex-duplex hybrid containing a V-shaped loop
Authors
Vianney, Y.M., Weisz, K.
Assembly
DNA (5'-D(CTCCAGCTGGGTGAGGGGCTGGGT)-3'), DNA (5'-D(TTGGAGCTGGAGTT)-3')
Entity
1. DNA (5'-D(CTCCAGCTGGGTGAGGGGCTGGGT)-3'), DNA (5'-D(TTGGAGCTGGAGTT)-3'), entity 1 (polymer, Thiol state: not present), 24 monomers, 7561.770 Da Detail

CTCCAGCTGG GTGAGGGGCT GGGT


2. DNA (5'-D(CTCCAGCTGGGTGAGGGGCTGGGT)-3'), DNA (5'-D(TTGGAGCTGGAGTT)-3'), entity 2 (polymer, Thiol state: not present), 14 monomers, 4429.808 Da Detail

TTGGAGCTGG AGTT


Total weight
11991.578 Da
Max. entity weight
7561.77 Da
Source organism
synthetic construct
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 261, 13C: 42 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111DCH1'H5.8740.0011
211DCH2'H2.2860.0031
311DCH2''H2.5880.0061
411DCH3'H4.6440.0011
511DCH5H5.9490.0031
611DCH6H7.8910.0031
711DCH41H7.0350.0091
811DCC6C143.2160.0051
912DTH1'H6.1850.0031
1012DTH2'H2.2250.0031
1112DTH2''H2.5990.0011
1212DTH3H13.8990.0021
1312DTH3'H4.8760.0021
1412DTH6H7.6130.0011
1512DTH71H1.6580.0021
1612DTH72H1.6580.0021
1712DTH73H1.6580.0021
1812DTC6C139.8480.0111
1913DCH1'H5.9570.0041
2013DCH2'H2.0660.0031
2113DCH2''H2.3720.0041
2213DCH3'H4.7990.0041
2313DCH5H5.6440.0061
2413DCH6H7.5080.0021
2513DCH41H8.4580.0011
2613DCH42H6.7620.0021
2713DCC6C143.6350.0051
2814DCH1'H5.1240.0041
2914DCH2'H1.9670.0031
3014DCH2''H2.2040.0041
3114DCH3'H4.7450.0021
3214DCH5H5.5980.0021
3314DCH6H7.4300.0021
3414DCH41H8.5540.0011
3514DCH42H6.7480.0011
3614DCC6C143.3580.0091
3715DAH1'H5.9140.0031
3815DAH2H7.5760.0021
3915DAH2'H2.6210.0041
4015DAH2''H2.7620.0021
4115DAH3'H4.9341
4215DAH8H8.0570.0021
4315DAC2C154.4030.0011
4415DAC8C141.6320.0091
4516DGH1H12.6170.0021
4616DGH1'H5.5160.0021
4716DGH2'H2.3010.0061
4816DGH2''H2.3890.0031
4916DGH3'H4.7900.0041
5016DGH8H7.4990.0011
5116DGC8C137.0090.0271
5217DCH1'H5.7230.0021
5317DCH2'H1.6720.0021
5417DCH2''H2.2900.0011
5517DCH3'H4.4810.0011
5617DCH5H5.0020.0031
5717DCH6H7.0820.0021
5817DCH41H6.2980.0011
5917DCH42H7.7290.0011
6017DCC6C142.3541
6118DTH1'H5.8330.0021
6218DTH2'H2.1880.0011
6318DTH2''H2.8030.0031
6418DTH3H13.5530.0041
6518DTH3'H4.7720.0051
6618DTH6H7.0940.0011
6718DTH71H1.0720.0021
6818DTH72H1.0720.0021
6918DTH73H1.0720.0021
7018DTC6C139.1680.0051
7119DGH1H11.0870.0021
7219DGH1'H5.7830.0031
7319DGH2'H2.9560.0041
7419DGH2''H2.7280.0031
7519DGH3'H4.9520.0021
7619DGH8H7.2330.0021
7719DGC8C141.7760.0071
78110DGH1H11.8140.0011
79110DGH1'H5.8790.0041
80110DGH2'H2.5400.0031
81110DGH2''H2.7580.0031
82110DGH3'H5.0320.0031
83110DGH8H7.9240.0011
84110DGC8C138.4411
85111DGH1H11.3020.0021
86111DGH1'H6.1670.0021
87111DGH2'H2.5290.0021
88111DGH2''H2.7010.0021
89111DGH3'H5.0260.0031
90111DGH8H7.5820.0021
91111DGC8C137.5180.0221
92112DTH1'H6.1920.0051
93112DTH2'H2.0700.0011
94112DTH2''H2.3440.0021
95112DTH3'H4.7430.0011
96112DTH6H7.5160.0021
97112DTH71H1.7940.0021
98112DTH72H1.7940.0021
99112DTH73H1.7940.0021
100112DTC6C139.4700.0071
101113DGH1'H5.7840.0021
102113DGH2'H2.3890.0021
103113DGH2''H2.4380.0081
104113DGH3'H4.7100.0011
105113DGH8H7.8750.0021
106113DGC8C139.6710.0111
107114DAH1'H5.6640.0031
108114DAH2H7.6020.0011
109114DAH2'H1.9000.0011
110114DAH2''H2.3000.0021
111114DAH3'H4.6820.0021
112114DAH5'H3.4290.0022
113114DAH5''H3.2810.0032
114114DAH8H7.7510.0031
115114DAC2C154.3640.0031
116114DAC8C140.6010.0181
117115DGH1H10.6300.0031
118115DGH1'H6.2250.0031
119115DGH2'H2.7680.0011
120115DGH2''H3.0190.0021
121115DGH3'H6.0170.0011
122115DGH8H7.0640.0021
123115DGC8C140.2520.0051
124116DGH1H11.3820.0021
125116DGH1'H6.0930.0031
126116DGH2'H2.9520.01
127116DGH2''H2.6610.0021
128116DGH3'H5.0000.0011
129116DGH8H7.4670.0021
130116DGC8C136.9460.0021
131117DGH1H11.5930.0011
132117DGH1'H6.1330.0041
133117DGH2'H2.9190.0031
134117DGH2''H2.5240.0011
135117DGH3'H4.7800.0051
136117DGH8H7.6860.0021
137117DGC8C138.0490.0161
138118DGH1H11.0860.0021
139118DGH1'H6.2520.0041
140118DGH2'H2.8390.0021
141118DGH2''H2.6410.0021
142118DGH3'H4.9580.0011
143118DGH8H7.9290.0021
144118DGC8C137.6511
145119DCH1'H6.4660.0021
146119DCH2'H2.2770.0031
147119DCH2''H2.6340.0021
148119DCH3'H4.5850.0011
149119DCH4'H4.5460.0011
150119DCH5H6.1370.01
151119DCH6H7.9500.0021
152119DCC6C144.2280.0141
153120DTH1'H6.6290.0021
154120DTH2'H2.6580.0031
155120DTH2''H2.6640.01
156120DTH3'H5.0330.01
157120DTH6H7.8320.0011
158120DTH71H2.1070.0011
159120DTH72H2.1070.0011
160120DTH73H2.1070.0011
161120DTC6C140.4490.0171
162121DGH1H11.6540.0011
163121DGH1'H5.9640.0011
164121DGH2'H2.9570.0021
165121DGH2''H2.8350.0011
166121DGH3'H4.8260.0011
167121DGH8H7.3590.0021
168121DGC8C142.1180.0121
169122DGH1H11.5010.0031
170122DGH1'H5.9650.0011
171122DGH2'H2.6410.0061
172122DGH2''H2.7450.0021
173122DGH3'H5.0650.0021
174122DGH8H7.7070.0011
175122DGC8C138.0221
176123DGH1H11.3860.0031
177123DGH1'H6.2570.0021
178123DGH2'H2.5330.0021
179123DGH2''H2.8600.0011
180123DGH3'H4.9660.0011
181123DGH8H7.6020.0021
182123DGC8C137.0970.0251
183124DTH1'H6.0880.0011
184124DTH2'H2.1740.0011
185124DTH2''H2.1730.0011
186124DTH3'H4.5220.0011
187124DTH6H7.2880.0021
188124DTH71H1.6230.0031
189124DTH72H1.6230.0031
190124DTH73H1.6230.0031
191124DTC6C138.7540.0111
19221DTH1'H6.4910.0021
19321DTH2'H2.5130.0021
19421DTH2''H2.6800.0021
19521DTH3'H5.0110.0011
19621DTH6H7.7790.0021
19721DTH71H1.9460.0051
19821DTH72H1.9460.0051
19921DTH73H1.9460.0051
20021DTC6C140.3740.0061
20122DTH1'H6.2360.0021
20222DTH2'H2.2990.0021
20322DTH2''H2.5780.0031
20422DTH3'H4.8330.0041
20522DTH6H7.6720.0011
20622DTH71H1.8760.0021
20722DTH72H1.8760.0021
20822DTH73H1.8760.0021
20922DTC6C139.7340.0011
21023DGH1H11.5140.0031
21123DGH1'H5.5370.0031
21223DGH2'H3.0040.0041
21323DGH2''H2.6910.0051
21423DGH3'H4.9350.0021
21523DGH8H6.8000.0021
21623DGC8C140.5700.0051
21724DGH1H11.8120.0021
21824DGH1'H5.6510.0021
21924DGH2'H2.7120.0031
22024DGH2''H2.7170.0031
22124DGH3'H5.0490.0041
22224DGH8H8.0680.0021
22324DGC8C138.5920.031
22425DAH1'H6.2080.0011
22525DAH2H7.2620.0031
22625DAH2'H2.6660.0021
22725DAH2''H2.9340.0011
22825DAH3'H5.1150.0021
22925DAH8H8.1460.0021
23025DAC2C154.3200.01
23125DAC8C140.9570.0011
23226DGH1H12.7050.0031
23326DGH1'H5.6900.0021
23426DGH2'H2.4830.0031
23526DGH2''H2.6110.0041
23626DGH3'H4.9640.0011
23726DGH8H7.6240.0011
23826DGC8C137.1890.0031
23927DCH1'H5.8040.0031
24027DCH2'H1.9050.0041
24127DCH2''H2.3760.0011
24227DCH3'H4.7070.0011
24327DCH5H5.1290.0021
24427DCH6H7.2630.0021
24527DCH41H7.9270.0011
24627DCH42H6.2960.0031
24727DCC6C142.3130.0111
24828DTH1'H5.5430.0021
24928DTH2'H1.9360.0021
25028DTH2''H2.2470.0021
25128DTH3H13.8920.0031
25228DTH3'H4.7810.0031
25328DTH6H7.2080.0021
25428DTH71H1.5380.0041
25528DTH72H1.5380.0041
25628DTH73H1.5380.0041
25728DTC6C139.4180.0061
25829DGH1H12.8670.0041
25929DGH1'H5.4680.0031
26029DGH2'H2.6040.0031
26129DGH2''H2.6660.0021
26229DGH3'H4.9290.0011
26329DGH8H7.7740.0011
26429DGC8C138.5150.0051
265210DGH1H12.7370.0031
266210DGH1'H5.4400.0021
267210DGH2'H2.5340.0011
268210DGH2''H2.6470.0031
269210DGH3'H4.9370.0041
270210DGH8H7.7110.0011
271210DGC8C137.6370.0031
272211DAH1'H6.0300.0011
273211DAH2H7.7460.0021
274211DAH2'H2.5610.0011
275211DAH2''H2.8040.0031
276211DAH3'H4.9510.0031
277211DAH8H7.9980.0011
278211DAC2C154.5880.0011
279211DAC8C140.9810.0011
280212DGH1'H5.7710.0031
281212DGH2'H2.2960.0031
282212DGH2''H2.4030.0041
283212DGH3'H4.8560.0021
284212DGH8H7.5020.0021
285212DGC8C137.5950.0041
286213DTH1'H6.0740.0021
287213DTH2'H2.0980.0021
288213DTH2''H2.3750.0031
289213DTH3'H4.7230.0011
290213DTH6H7.4070.0021
291213DTH71H1.6010.0021
292213DTH72H1.6010.0021
293213DTH73H1.6010.0021
294213DTC6C139.1790.0071
295214DTH1'H6.0510.0031
296214DTH2'H2.1360.0011
297214DTH2''H2.1370.0021
298214DTH3'H4.4100.0031
299214DTH6H7.4730.0031
300214DTH71H1.6640.0011
301214DTH72H1.6640.0011
302214DTH73H1.6640.0011
303214DTC6C139.7530.011

Release date
2023-12-14
Citation
Structural Aspects of Split G-Quadruplexes in Quadruplex-Duplex Hybrid Systems
Agustin, D.F., Vianney, Y.M., Weisz, K., Wahjudi, M.
Related entities 2. DNA (5'-D(CTCCAGCTGGGTGAGGGGCTGGGT)-3'), DNA (5'-D(TTGGAGCTGGAGTT)-3'), entity 2, : 1 entities Detail
Experiments performed 3 experiments Detail
Chemical shift validation 4 contents Detail
Keywords DNA, G-Quadruplex, Quadruplex-Duplex Hybrid, V-shaped loop