BMRBj - BMREntryMaster

	Total	¹H	¹³C
All	87.6 % (227 of 259)	82.8 % (120 of 145)	93.9 % (107 of 114)
Suger, PO4	90.4 % (169 of 187)	89.2 % (91 of 102)	91.8 % (78 of 85)
Nucleobase	80.6 % (58 of 72)	67.4 % (29 of 43)	100.0 % (29 of 29)
Aromatic	87.9 % (58 of 66)	78.4 % (29 of 37)	100.0 % (29 of 29)

1. RNA

GGAAUCGAAA GAUGUCC

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	RNA	natural abundance		1 mM
2	D2O	natural abundance		100 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7

#	Name	Isotope labeling	Concentration
3	RNA	natural abundance	1 mM
4	DHO	natural abundance	90 %
5	D2O	natural abundance	10 %

Release date

2014-03-02

Citation

Binding of a naphtyridine analogue to the single G-bulge in a conserved regulatory region of the HEV genome
Lescrinier, E.
Not known

Related entities 1. single G-bulge in a conserved regulatory region of the HEV genome, : 1 entities Detail

Experiments performed 8 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19024_2m4w.nef
Input source #2: Coordindates	2m4w.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	None
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)

None

Non-standard residues

None

Sequence alignments

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

--------10-------
GGAAUCGAAAGAUGUCC
|||||||||||||||||
GGAAUCGAAAGAUGUCC

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	17	0	0	100.0

Content subtype: combined_19024_2m4w.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	257		100.0 (chain: A, length: 17)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	203 (1)	noe	100.0 (chain: A, length: 17)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	14 (1)	hbond	82.4 (chain: A, length: 17)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	123 (123)	.	100.0 (chain: A, length: 17)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning
Sequence coverage of experimental data
- Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%
Total number of assignments
- ¹H chemical shifts: 120
- ¹³C chemical shifts: 137

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	G	C5	115.964
3	A	C4	145.698
3	A	C6	154.431
4	A	C4	145.86
4	A	C5	118.026
4	A	C6	155.403
5	U	C2	149.633
5	U	C4	165.305
8	A	C4	146.365
8	A	C5	117.926
8	A	C6	154.647
9	A	C4	145.326
9	A	C5	117.121
9	A	C6	153.489
10	A	C4	145.979
10	A	C5	117.322
11	G	C5	116.014
12	A	C4	146.187
12	A	C5	117.876
12	A	C6	154.965
13	U	C2	150.257
13	U	C4	165.346
14	G	C4	151.203
14	G	C5	115.813
15	U	C2	150.376
15	U	C4	166.417
16	C	C2	155.505
16	C	C4	165.346
17	C	C2	156.697
17	C	C4	165.799

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	145	120	82.8
¹³C chemical shifts	114	107	93.9

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	102	91	89.2
¹³C chemical shifts	85	78	91.8

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	29	67.4
¹³C chemical shifts	29	29	100.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	17	17	100.0
¹³C chemical shifts	17	17	100.0

Histogram of normalized assigned chemical shifts

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%
- Total number of restraints: 203
- Weight of restraints: 1.0 (203)
- Potential type of restraints: square-well-parabolic (203)
- Range of distance target values: 2.0, 5.5 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 82.4%
  - Total number of restraints: 14
  - Weight of restraints: 1.0 (14)
  - Potential type of restraints: square-well-parabolic (14)
  - Range of distance target values: 2.15, 2.95 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%
- Total number of restraints: 123
- Total number of restraints per polymer type: 123
- Weight of restraints: 1.0 (123)
- Potential type of restraints: square-well-parabolic (123)
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords G-bulge, internal loop, RNA

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BMRB: 19024

Sample #1

Sample #2

Related entities 1. single G-bulge in a conserved regulatory region of the HEV genome, : 1 entities Detail

Experiments performed 8 experiments Detail

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NMR combined restraints 5 contents Detail