BMRBj - BMREntryMaster

Found 1 Document (0.828 seconds)

BMRB: 16852

2KWG

Solution structure of a fully modified 2'-F/2'-OMe siRNA construct

Authors

Podbevsek, P., Bhat, B., Plavec, J.

Assembly

siRNA construct

Entity

1. ISIS401156 (polymer, Thiol state: not present), 21 monomers, 2276.429 Da
2. ISIS401157 (polymer, Thiol state: not present), 21 monomers, 2379.549 Da

Total weight

4655.978 Da

Max. entity weight

2379.549 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 231 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
1	1	1	FG	H1'	H	6.167	1
2	1	1	FG	H2'	H	5.570	1
3	1	1	FG	H3'	H	4.688	1
4	1	1	FG	H8	H	8.095	1
5	1	2	MG	H1'	H	6.033	1
6	1	2	MG	H8	H	7.362	1
7	1	2	MG	HM'1	H	3.832	2
8	1	2	MG	HM'2	H	3.832	2
9	1	2	MG	HM'3	H	3.832	2
10	1	2	MG	H1	H	12.485	1
11	1	3	FG	H1'	H	6.131	1
12	1	3	FG	H2'	H	5.114	1
13	1	3	FG	H8	H	7.205	1
14	1	3	FG	H1	H	13.086	1
15	1	4	MU	H1'	H	5.719	1
16	1	4	MU	H5	H	5.180	1
17	1	4	MU	H6	H	7.773	1
18	1	4	MU	HM'1	H	3.673	2
19	1	4	MU	HM'2	H	3.673	2
20	1	4	MU	HM'3	H	3.673	2
21	1	4	MU	H3	H	13.308	1
22	1	5	FOL	H1'	H	6.318	1
23	1	5	FOL	H2	H	6.393	1
24	1	5	FOL	H2'	H	5.255	1
25	1	5	FOL	H3'	H	4.825	1
26	1	5	FOL	H8	H	8.009	1
27	1	6	MA	H1'	H	5.982	1
28	1	6	MA	H2	H	7.104	1
29	1	6	MA	H8	H	7.778	1
30	1	6	MA	HM'1	H	3.728	2
31	1	6	MA	HM'2	H	3.728	2
32	1	6	MA	HM'3	H	3.728	2
33	1	7	FOL	H1'	H	6.179	1
34	1	7	FOL	H2	H	7.647	1
35	1	7	FOL	H2'	H	5.026	1
36	1	7	FOL	H8	H	7.665	1
37	1	8	MU	H1'	H	5.668	1
38	1	8	MU	H5	H	5.066	1
39	1	8	MU	H6	H	7.591	1
40	1	8	MU	HM'1	H	3.638	2
41	1	8	MU	HM'2	H	3.638	2
42	1	8	MU	HM'3	H	3.638	2
43	1	8	MU	H3	H	13.100	1
44	1	9	FOL	H1'	H	6.366	1
45	1	9	FOL	H2	H	7.083	1
46	1	9	FOL	H2'	H	5.156	1
47	1	9	FOL	H3'	H	4.798	1
48	1	9	FOL	H8	H	8.058	1
49	1	10	MC	H1'	H	5.553	1
50	1	10	MC	H5	H	5.244	1
51	1	10	MC	H6	H	7.623	1
52	1	10	MC	HM'1	H	3.598	2
53	1	10	MC	HM'2	H	3.598	2
54	1	10	MC	HM'3	H	3.598	2
55	1	11	FOL	H1'	H	6.259	1
56	1	11	FOL	H2	H	7.363	1
57	1	11	FOL	H2'	H	5.161	1
58	1	11	FOL	H3'	H	4.760	1
59	1	11	FOL	H8	H	8.005	1
60	1	12	MU	H1'	H	5.780	1
61	1	12	MU	H5	H	5.069	1
62	1	12	MU	H6	H	7.720	1
63	1	12	MU	HM'1	H	3.673	2
64	1	12	MU	HM'2	H	3.673	2
65	1	12	MU	HM'3	H	3.673	2
66	1	12	MU	H3	H	13.804	1
67	1	13	FU	H1'	H	6.013	1
68	1	13	FU	H2'	H	5.188	1
69	1	13	FU	H5	H	5.535	1
70	1	13	FU	H6	H	7.882	1
71	1	13	FU	H3	H	13.875	1
72	1	14	MC	H1'	H	5.777	1
73	1	14	MC	H5	H	5.692	1
74	1	14	MC	H6	H	7.949	1
75	1	14	MC	HM'1	H	3.671	2
76	1	14	MC	HM'2	H	3.671	2
77	1	14	MC	HM'3	H	3.671	2
78	1	15	FU	H1'	H	5.831	1
79	1	15	FU	H2'	H	5.131	1
80	1	15	FU	H5	H	5.419	1
81	1	15	FU	H6	H	7.833	1
82	1	15	FU	H3	H	14.148	1
83	1	16	MU	H1'	H	5.877	1
84	1	16	MU	H5	H	5.625	1
85	1	16	MU	H6	H	8.077	1
86	1	16	MU	HM'1	H	3.690	2
87	1	16	MU	HM'2	H	3.690	2
88	1	16	MU	HM'3	H	3.690	2
89	1	16	MU	H3	H	13.627	1
90	1	17	FC	H1'	H	5.812	1
91	1	17	FC	H2'	H	5.116	1
92	1	17	FC	H5	H	5.672	1
93	1	17	FC	H6	H	7.747	1
94	1	18	MA	H1'	H	6.082	1
95	1	18	MA	H2	H	7.409	1
96	1	18	MA	H8	H	8.092	1
97	1	18	MA	HM'1	H	3.743	2
98	1	18	MA	HM'2	H	3.743	2
99	1	18	MA	HM'3	H	3.743	2
100	1	19	FU	H1'	H	5.826	1
101	1	19	FU	H2'	H	4.954	1
102	1	19	FU	H5	H	5.096	1
103	1	19	FU	H6	H	7.269	1
104	1	20	MU	H1'	H	5.667	1
105	1	20	MU	H5	H	5.598	1
106	1	20	MU	H6	H	7.617	1
107	1	20	MU	HM'1	H	3.362	2
108	1	20	MU	HM'2	H	3.362	2
109	1	20	MU	HM'3	H	3.362	2
110	1	21	FU	H1'	H	5.856	1
111	1	21	FU	H2'	H	4.984	1
112	1	21	FU	H3'	H	4.288	1
113	1	21	FU	H5	H	5.676	1
114	1	21	FU	H6	H	7.670	1
115	2	1	MA	H1'	H	6.187	1
116	2	1	MA	H2	H	7.902	1
117	2	1	MA	H2'	H	4.791	1
118	2	1	MA	H8	H	8.697	1
119	2	1	MA	HM'1	H	3.803	2
120	2	1	MA	HM'2	H	3.803	2
121	2	1	MA	HM'3	H	3.803	2
122	2	2	FU	H1'	H	5.932	1
123	2	2	FU	H2'	H	5.418	1
124	2	2	FU	H3'	H	4.613	1
125	2	2	FU	H5	H	5.174	1
126	2	2	FU	H6	H	7.562	1
127	2	3	MG	H1'	H	6.007	1
128	2	3	MG	H8	H	7.638	1
129	2	3	MG	HM'1	H	3.808	2
130	2	3	MG	HM'2	H	3.808	2
131	2	3	MG	HM'3	H	3.808	2
132	2	3	MG	H1	H	11.456	1
133	2	4	FOL	H1'	H	6.149	1
134	2	4	FOL	H2	H	7.038	1
135	2	4	FOL	H2'	H	5.217	1
136	2	4	FOL	H3'	H	4.742	1
137	2	4	FOL	H8	H	7.641	1
138	2	5	MA	H1'	H	6.075	1
139	2	5	MA	H2	H	7.391	1
140	2	5	MA	H8	H	7.663	1
141	2	5	MA	HM'1	H	3.752	2
142	2	5	MA	HM'2	H	3.752	2
143	2	5	MA	HM'3	H	3.752	2
144	2	6	FG	H1'	H	5.877	1
145	2	6	FG	H2'	H	5.124	1
146	2	6	FG	H3'	H	4.516	1
147	2	6	FG	H8	H	6.963	1
148	2	6	FG	H1	H	12.446	1
149	2	7	MA	H1'	H	6.027	1
150	2	7	MA	H2	H	7.223	1
151	2	7	MA	H8	H	7.690	1
152	2	7	MA	HM'1	H	3.770	2
153	2	7	MA	HM'2	H	3.770	2
154	2	7	MA	HM'3	H	3.770	2
155	2	8	FOL	H1'	H	6.220	1
156	2	8	FOL	H2	H	7.722	1
157	2	8	FOL	H2'	H	5.120	1
158	2	8	FOL	H8	H	7.617	1
159	2	9	MU	H1'	H	5.694	1
160	2	9	MU	H5	H	5.025	1
161	2	9	MU	H6	H	7.531	1
162	2	9	MU	HM'1	H	3.678	2
163	2	9	MU	HM'2	H	3.678	2
164	2	9	MU	HM'3	H	3.678	2
165	2	9	MU	H3	H	13.333	1
166	2	10	FG	H1'	H	6.197	1
167	2	10	FG	H2'	H	5.096	1
168	2	10	FG	H8	H	7.627	1
169	2	10	FG	H1	H	12.478	1
170	2	11	MU	H1'	H	5.670	1
171	2	11	MU	H5	H	5.235	1
172	2	11	MU	H6	H	7.803	1
173	2	11	MU	HM'1	H	3.654	2
174	2	11	MU	HM'2	H	3.654	2
175	2	11	MU	HM'3	H	3.654	2
176	2	11	MU	H3	H	13.246	1
177	2	12	FOL	H1'	H	6.395	1
178	2	12	FOL	H2	H	7.051	1
179	2	12	FOL	H2'	H	5.181	1
180	2	12	FOL	H3'	H	4.755	1
181	2	12	FOL	H8	H	8.095	1
182	2	13	MU	H1'	H	5.710	1
183	2	13	MU	H5	H	5.077	1
184	2	13	MU	H6	H	7.693	1
185	2	13	MU	HM'1	H	3.644	2
186	2	13	MU	HM'2	H	3.644	2
187	2	13	MU	HM'3	H	3.644	2
188	2	13	MU	H3	H	13.733	1
189	2	14	FU	H1'	H	6.008	1
190	2	14	FU	H2'	H	5.101	1
191	2	14	FU	H5	H	5.557	1
192	2	14	FU	H6	H	7.880	1
193	2	14	FU	H3	H	13.930	1
194	2	15	MU	H1'	H	5.848	1
195	2	15	MU	H5	H	5.672	1
196	2	15	MU	H6	H	8.078	1
197	2	15	MU	HM'1	H	3.663	2
198	2	15	MU	HM'2	H	3.663	2
199	2	15	MU	HM'3	H	3.663	2
200	2	15	MU	H3	H	12.889	1
201	2	16	FOL	H1'	H	6.347	1
202	2	16	FOL	H2	H	7.098	1
203	2	16	FOL	H2'	H	5.143	1
204	2	16	FOL	H3'	H	4.852	1
205	2	16	FOL	H8	H	8.196	1
206	2	17	MC	H1'	H	5.612	1
207	2	17	MC	H5	H	5.243	1
208	2	17	MC	H6	H	7.650	1
209	2	17	MC	HM'1	H	3.579	2
210	2	17	MC	HM'2	H	3.579	2
211	2	17	MC	HM'3	H	3.579	2
212	2	18	FC	H1'	H	5.798	1
213	2	18	FC	H2'	H	5.056	1
214	2	18	FC	H5	H	5.415	1
215	2	18	FC	H6	H	7.649	1
216	2	19	MC	H1'	H	5.720	1
217	2	19	MC	H5	H	5.446	1
218	2	19	MC	H6	H	7.592	1
219	2	19	MC	HM'1	H	3.639	2
220	2	19	MC	HM'2	H	3.639	2
221	2	19	MC	HM'3	H	3.639	2
222	2	20	FU	H1'	H	5.822	1
223	2	20	FU	H2'	H	4.918	1
224	2	20	FU	H5	H	5.562	1
225	2	20	FU	H6	H	7.590	1
226	2	21	MU	H1'	H	5.889	1
227	2	21	MU	H5	H	5.754	1
228	2	21	MU	H6	H	7.745	1
229	2	21	MU	HM'1	H	3.397	2
230	2	21	MU	HM'2	H	3.397	2
231	2	21	MU	HM'3	H	3.397	2

Release date

2010-04-08

Citation

Solution-state structure of a fully alternately 2'-F/2'-OMe modified 42-nt dimeric siRNA construct
Podbevsek, P., Allerson, C.R., Bhat, B., Plavec, J.
Nucleic Acids Res. (2010), 38, 7298-7307, PubMed 20624819 , DOI 10.1093/nar/gkq621 , Abstract

Experiments performed 7 experiments Detail

1 2D DQF-COSY

Instrument

Varian Uniform NMR System - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	ISIS401156	natural abundance	2 mM
2	ISIS401157	natural abundance	2 mM
3	D2O	natural abundance	100 %
4	NaCl	natural abundance	20 mM
5	sodium phosphate	natural abundance	20 mM

2 2D 1H-1H NOESY

Instrument

Varian Uniform NMR System - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	ISIS401156	natural abundance	2 mM
2	ISIS401157	natural abundance	2 mM
3	D2O	natural abundance	100 %
4	NaCl	natural abundance	20 mM
5	sodium phosphate	natural abundance	20 mM

3 2D 1H-1H NOESY

Instrument

Varian Uniform NMR System - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
6	ISIS401156	natural abundance	2 mM
7	ISIS401157	natural abundance	2 mM
8	H2O	natural abundance	100 %
9	NaCl	natural abundance	20 mM
10	sodium phosphate	natural abundance	20 mM

4 2D 1H-1H NOESY

Instrument

Varian Uniform NMR System - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	ISIS401156	natural abundance	2 mM
2	ISIS401157	natural abundance	2 mM
3	D2O	natural abundance	100 %
4	NaCl	natural abundance	20 mM
5	sodium phosphate	natural abundance	20 mM

5 2D 1H-1H NOESY

Instrument

Varian Uniform NMR System - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 6.8

#	Name	Isotope labeling	Concentration
6	ISIS401156	natural abundance	2 mM
7	ISIS401157	natural abundance	2 mM
8	H2O	natural abundance	100 %
9	NaCl	natural abundance	20 mM
10	sodium phosphate	natural abundance	20 mM

6 2D HP-COSY

Instrument

Varian Uniform NMR System - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	ISIS401156	natural abundance	2 mM
2	ISIS401157	natural abundance	2 mM
3	D2O	natural abundance	100 %
4	NaCl	natural abundance	20 mM
5	sodium phosphate	natural abundance	20 mM

7 2D 1H-1H NOESY

Instrument

Varian Uniform NMR System - 800 MHz

Sample

State anisotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	ISIS401156	natural abundance	2 mM
2	ISIS401157	natural abundance	2 mM
3	D2O	natural abundance	100 %
4	NaCl	natural abundance	20 mM
5	sodium phosphate	natural abundance	20 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16852_2kwg.nef
Input source #2: Coordindates	2kwg.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:2:OMG:O3'	1:3:GF2:P	unknown	unknown	n/a
1:4:OMU:O3'	1:5:AF2:P	unknown	unknown	n/a
1:6:A2M:O3'	1:7:AF2:P	unknown	unknown	n/a
1:8:OMU:O3'	1:9:AF2:P	unknown	unknown	n/a
1:10:OMC:O3'	1:11:AF2:P	unknown	unknown	n/a
1:12:OMU:O3'	1:13:UFT:P	unknown	unknown	n/a
1:13:UFT:O3'	1:14:OMC:P	unknown	unknown	n/a
1:14:OMC:O3'	1:15:UFT:P	unknown	unknown	n/a
1:15:UFT:O3'	1:16:OMU:P	unknown	unknown	n/a
1:16:OMU:O3'	1:17:CFZ:P	unknown	unknown	n/a
1:17:CFZ:O3'	1:18:A2M:P	unknown	unknown	n/a
1:18:A2M:O3'	1:19:UFT:P	unknown	unknown	n/a
1:19:UFT:O3'	1:20:OMU:P	unknown	unknown	n/a
1:20:OMU:O3'	1:21:UFT:P	unknown	unknown	n/a
2:1:A2M:O3'	2:2:UFT:P	unknown	unknown	n/a
2:2:UFT:O3'	2:3:OMG:P	unknown	unknown	n/a
2:3:OMG:O3'	2:4:AF2:P	unknown	unknown	n/a
2:5:A2M:O3'	2:6:GF2:P	unknown	unknown	n/a
2:7:A2M:O3'	2:8:AF2:P	unknown	unknown	n/a
2:9:OMU:O3'	2:10:GF2:P	unknown	unknown	n/a
2:11:OMU:O3'	2:12:AF2:P	unknown	unknown	n/a
2:13:OMU:O3'	2:14:UFT:P	unknown	unknown	n/a
2:14:UFT:O3'	2:15:OMU:P	unknown	unknown	n/a
2:15:OMU:O3'	2:16:AF2:P	unknown	unknown	n/a
2:17:OMC:O3'	2:18:CFZ:P	unknown	unknown	n/a
2:18:CFZ:O3'	2:19:OMC:P	unknown	unknown	n/a
2:19:OMC:O3'	2:20:UFT:P	unknown	unknown	n/a
2:20:UFT:O3'	2:21:OMU:P	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	1	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	2	OMG	O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	3	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	4	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	5	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	6	A2M	2'-O-methyladenosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	7	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	8	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	9	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	10	OMC	O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	11	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	12	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	13	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	14	OMC	O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	15	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	16	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	17	CFZ	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	18	A2M	2'-O-methyladenosine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	19	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
A	20	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	21	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Assigned chemical shifts, Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	22	A2M	2'-O-methyladenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, Coordinates
B	23	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	24	OMG	O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	25	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	26	A2M	2'-O-methyladenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, Coordinates
B	27	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	28	A2M	2'-O-methyladenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, Coordinates
B	29	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	30	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	31	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	32	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	33	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	34	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	35	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	36	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	37	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	38	OMC	O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	39	CFZ	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	40	OMC	O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates
B	41	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)	Distance restraints, Torsion angle restraints, RDC restraints, Coordinates
B	42	OMU	O2'-METHYLURIDINE 5'-MONOPHOSPHATE	Distance restraints, Torsion angle restraints, Coordinates

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20-
XXXXXXXXXXXXXXXXXXXXX
|||||||||||||||||||||
XXXXXXXXXXXXXXXXXXXXX

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

-------30--------40--
XXXXXXXXXXXXXXXXXXXXX
|||||||||||||||||||||
XXXXXXXXXXXXXXXXXXXXX
--------10--------20-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	21	0	0	100.0
B	B	21	0	0	100.0

Content subtype: combined_16852_2kwg.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	28		No information
1	Assigned chemical shifts	Shifts	Warning	231		100.0 (chain: A, length: 21)
1	Distance restraints	AMBER_distance_constraints_5	OK	311 (1)	noe	100.0 (chain: A, length: 21), 100.0 (chain: B, length: 21)
2	Distance restraints	AMBER_distance_constraints_6	OK	40 (1)	hbond	81.0 (chain: A, length: 21), 81.0 (chain: B, length: 21)
1	Dihedral angle restraints	AMBER_dihedral_3	OK	216 (216)	.	100.0 (chain: A, length: 21), 100.0 (chain: B, length: 21)
1	RDC restraints	AMBER_dipolar_coupling_4	Warning	42 (42)	.	52.4 (chain: A, length: 21), 47.6 (chain: B, length: 21)

Assigned chemical shifts

Saveframe: Shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 231
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID
1	GF2
2	OMG
3	GF2
4	OMU
5	AF2
6	A2M
7	AF2
8	OMU
9	AF2
10	OMC
11	AF2
12	OMU
13	UFT
14	OMC
15	UFT
16	OMU
17	CFZ
18	A2M
19	UFT
20	OMU
21	UFT

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: AMBER_distance_constraints_5
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 21, Sequence coverage: 100.0%
- Total number of restraints: 311
- Weight of restraints: 1.0 (311)
- Potential type of restraints: square-well-parabolic (311)
- Range of distance target values: 2.95, 5.91 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: AMBER_distance_constraints_6
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 81.0%
    - Entity_assembly_ID: B, Chain length: 21, Sequence coverage: 81.0%
  - Total number of restraints: 40
  - Weight of restraints: 1.0 (40)
  - Potential type of restraints: square-well-parabolic (40)
  - Range of distance target values: 2.1, 2.1 (Å)
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: AMBER_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 21, Sequence coverage: 100.0%
- Total number of restraints: 216
- Total number of restraints per polymer type: 216
- Weight of restraints: 1.0 (216)
- Potential type of restraints: square-well-parabolic (216)
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

RDC restraints

Saveframe: AMBER_dipolar_coupling_4
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 52.4%
  - Entity_assembly_ID: B, Chain length: 21, Sequence coverage: 47.6%
- Total number of restraints: 42
- Potential type of restraints: square-well-parabolic (42)
- Range of observed RDC values: -3.41, 5.24 (Hz)
- Histogram of observed RDC values
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords 2'-F, 2'-OMe, RNA

Comp_index_ID	Comp_ID
1	GF2
2	OMG
3	GF2
4	OMU
5	AF2
6	A2M
7	AF2
8	OMU
9	AF2
10	OMC
11	AF2
12	OMU
13	UFT
14	OMC
15	UFT
16	OMU
17	CFZ
18	A2M
19	UFT
20	OMU
21	UFT

Comp_index_ID	Comp_ID
1	GF2
2	OMG
3	GF2
4	OMU
5	AF2
6	A2M
7	AF2
8	OMU
9	AF2
10	OMC
11	AF2
12	OMU
13	UFT
14	OMC
15	UFT
16	OMU
17	CFZ
18	A2M
19	UFT
20	OMU
21	UFT

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.828 seconds)

BMRB: 16852

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 6 contents Detail

Comp_index_ID	Comp_ID
1	GF2
2	OMG
3	GF2
4	OMU
5	AF2
6	A2M
7	AF2
8	OMU
9	AF2
10	OMC
11	AF2
12	OMU
13	UFT
14	OMC
15	UFT
16	OMU
17	CFZ
18	A2M
19	UFT
20	OMU
21	UFT