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

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 (0.395 seconds)

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

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail