BMRB: 34856

Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions

Authors

El-Khoury, R., Cabrero, C., Movilla, S., Thorpe, J.D., Roman, M., Orozco, M., Gonzalez, C., Damha, M.J.

Assembly

DNA (5'-D(*(FC)P*GP*(FC)P*GP*(FC)P*G)-3')

Entity

1. DNA (5'-D(*(FC)P*GP*(FC)P*GP*(FC)P*G)-3') (polymer, Thiol state: not present), 6 monomers, 1927.151 × 2 Da Detail

XGXGXG

Total weight

3854.302 Da

Max. entity weight

1927.151 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 122, Other nucleus: null 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	CFL	H1'	H	5.778	0.003
2	1	1	CFL	H2'	H	5.045	0.000
3	1	1	CFL	H3'	H	4.586	0.001
4	1	1	CFL	H4'	H	3.715	0.001
5	1	1	CFL	H5	H	5.829	0.002
6	1	1	CFL	H5'1	H	2.810	0.003
7	1	1	CFL	H5'2	H	3.051	0.002
8	1	1	CFL	H6	H	7.440	0.002
9	1	1	CFL	F	F	-126.472	0.004
10	1	1	CFL	HN41	H	7.139	0.001
11	1	1	CFL	HN42	H	8.325	0.001
12	1	2	DG	H1	H	13.254	0.003
13	1	2	DG	H1'	H	6.239	0.001
14	1	2	DG	H2'	H	2.734	0.007
15	1	2	DG	H2''	H	2.737	0.002
16	1	2	DG	H3'	H	4.885	0.000
17	1	2	DG	H4'	H	4.227	0.000
18	1	2	DG	H5'	H	4.091	0.000
19	1	2	DG	H5''	H	4.205	0.000
20	1	2	DG	H8	H	7.759	0.001
21	1	2	DG	H21	H	6.843	0.000
22	1	2	DG	H22	H	8.496	0.000
23	1	3	CFL	H1'	H	5.687	0.001
24	1	3	CFL	H2'	H	5.176	0.000
25	1	3	CFL	H3'	H	4.917	0.005
26	1	3	CFL	H4'	H	3.841	0.002
27	1	3	CFL	H5	H	5.079	0.001
28	1	3	CFL	H5'1	H	2.503	0.001
29	1	3	CFL	H5'2	H	3.706	0.003
30	1	3	CFL	H6	H	7.402	0.002
31	1	3	CFL	F	F	-124.736	0.000
32	1	3	CFL	HN41	H	6.615	0.001
33	1	3	CFL	HN42	H	8.346	0.001
34	1	4	DG	H1	H	13.255	0.003
35	1	4	DG	H1'	H	6.284	0.001
36	1	4	DG	H2'	H	2.790	0.002
37	1	4	DG	H2''	H	2.790	0.001
38	1	4	DG	H3'	H	4.887	0.000
39	1	4	DG	H4'	H	4.243	0.000
40	1	4	DG	H5'	H	4.139	0.000
41	1	4	DG	H5''	H	4.224	0.000
42	1	4	DG	H8	H	7.856	0.001
43	1	4	DG	H21	H	6.481	0.000
44	1	4	DG	H22	H	8.527	0.002
45	1	5	CFL	H1'	H	5.917	0.000
46	1	5	CFL	H2'	H	5.215	0.000
47	1	5	CFL	H3'	H	4.963	0.000
48	1	5	CFL	H4'	H	3.933	0.001
49	1	5	CFL	H5	H	5.238	0.002
50	1	5	CFL	H5'1	H	2.728	0.001
51	1	5	CFL	H5'2	H	3.777	0.002
52	1	5	CFL	H6	H	7.556	0.002
53	1	5	CFL	F	F	-123.896	0.005
54	1	5	CFL	HN41	H	6.739	0.001
55	1	5	CFL	HN42	H	8.549	0.002
56	1	6	DG	H1	H	13.426	0.002
57	1	6	DG	H1'	H	6.283	0.000
58	1	6	DG	H2'	H	3.246	0.000
59	1	6	DG	H2''	H	2.429	0.001
60	1	6	DG	H3'	H	4.799	0.000
61	1	6	DG	H4'	H	4.284	0.001
62	1	6	DG	H5'	H	4.152	0.000
63	1	6	DG	H5''	H	4.203	0.001
64	1	6	DG	H8	H	7.870	0.003
65	1	1	CFL	H1'	H	5.778	0.003
66	1	1	CFL	H2'	H	5.045	0.000
67	1	1	CFL	H3'	H	4.586	0.001
68	1	1	CFL	H4'	H	3.715	0.001
69	1	1	CFL	H5	H	5.829	0.002
70	1	1	CFL	H5'1	H	2.810	0.003
71	1	1	CFL	H5'2	H	3.051	0.002
72	1	1	CFL	H6	H	7.440	0.002
73	1	1	CFL	F	F	-126.472	0.004
74	1	1	CFL	HN41	H	7.139	0.001
75	1	1	CFL	HN42	H	8.325	0.001
76	1	2	DG	H1	H	13.254	0.003
77	1	2	DG	H1'	H	6.239	0.001
78	1	2	DG	H2'	H	2.734	0.007
79	1	2	DG	H2''	H	2.737	0.002
80	1	2	DG	H3'	H	4.885	0.000
81	1	2	DG	H4'	H	4.227	0.000
82	1	2	DG	H5'	H	4.091	0.000
83	1	2	DG	H5''	H	4.205	0.000
84	1	2	DG	H8	H	7.759	0.001
85	1	2	DG	H21	H	6.843	0.000
86	1	2	DG	H22	H	8.496	0.000
87	1	3	CFL	H1'	H	5.687	0.001
88	1	3	CFL	H2'	H	5.176	0.000
89	1	3	CFL	H3'	H	4.917	0.005
90	1	3	CFL	H4'	H	3.841	0.002
91	1	3	CFL	H5	H	5.079	0.001
92	1	3	CFL	H5'1	H	2.503	0.001
93	1	3	CFL	H5'2	H	3.706	0.003
94	1	3	CFL	H6	H	7.402	0.002
95	1	3	CFL	F	F	-124.736	0.000
96	1	3	CFL	HN41	H	6.615	0.001
97	1	3	CFL	HN42	H	8.346	0.001
98	1	4	DG	H1	H	13.255	0.003
99	1	4	DG	H1'	H	6.284	0.001
100	1	4	DG	H2'	H	2.790	0.002
101	1	4	DG	H2''	H	2.790	0.001
102	1	4	DG	H3'	H	4.887	0.000
103	1	4	DG	H4'	H	4.243	0.000
104	1	4	DG	H5'	H	4.139	0.000
105	1	4	DG	H5''	H	4.224	0.000
106	1	4	DG	H8	H	7.856	0.001
107	1	4	DG	H21	H	6.481	0.000
108	1	4	DG	H22	H	8.527	0.002
109	1	5	CFL	H1'	H	5.917	0.000
110	1	5	CFL	H2'	H	5.215	0.000
111	1	5	CFL	H3'	H	4.963	0.000
112	1	5	CFL	H4'	H	3.933	0.001
113	1	5	CFL	H5	H	5.238	0.002
114	1	5	CFL	H5'1	H	2.728	0.001
115	1	5	CFL	H5'2	H	3.777	0.002
116	1	5	CFL	H6	H	7.556	0.002
117	1	5	CFL	F	F	-123.896	0.005
118	1	5	CFL	HN41	H	6.739	0.001
119	1	5	CFL	HN42	H	8.549	0.002
120	1	6	DG	H1	H	13.426	0.002
121	1	6	DG	H1'	H	6.283	0.000
122	1	6	DG	H2'	H	3.246	0.000
123	1	6	DG	H2''	H	2.429	0.001
124	1	6	DG	H3'	H	4.799	0.000
125	1	6	DG	H4'	H	4.284	0.001
126	1	6	DG	H5'	H	4.152	0.000
127	1	6	DG	H5''	H	4.203	0.001
128	1	6	DG	H8	H	7.870	0.003

Release date

2023-12-07

Citation

Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions
El-Khoury, R., Cabrero, C., Movilla, S., Kaur, H., Friedland, D., Dominguez, A., Thorpe, J.D., Roman, M., Orozco, M., Gonzalez, C., Damha, M.J.
Nucleic Acids Res. (2024), PubMed 38874502 , DOI 10.1093/nar/gkae508 , Abstract

Entries sharing articles BMRB: 2 entries Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail