BMRBj - BMREntryMaster

	Total	¹H	¹⁵N
All	84.0 % (645 of 768)	82.1 % (540 of 658)	95.5 % (105 of 110)
Backbone	95.3 % (282 of 296)	95.0 % (190 of 200)	95.8 % (92 of 96)
Sidechain	76.9 % (363 of 472)	76.4 % (350 of 458)	92.9 % (13 of 14)
Aromatic	62.2 % (23 of 37)	61.1 % (22 of 36)	100.0 % (1 of 1)
Methyl	95.2 % (59 of 62)	95.2 % (59 of 62)

1. S6wt

MRRYEVNIVL NPNLDQSQLA LEKEIIQRAL ENYGARVEKV EELGLRRLAY PIAKDPQGYF LWYQVEMPED RVNDLARELR IRDNVRRVMV VKSQEPFLAN A

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	entity	[U-15N]	0.8 ~ 1.2 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
6	entity	natural abundance	0.8 ~ 1.2 mM
7	sodium chloride	natural abundance	50 mM
8	D2O	natural abundance	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2KJV, Strand ID: A Detail

Release date

2009-12-15

Citation

The HD-exchange motions of ribosomal protein S6 are insensitive to reversal of the protein-folding pathway
Haglund, E., Lind, J., Oman, T., Ohman, A., Maler, L., Oliveberg, M.
Proc. Natl. Acad. Sci. U. S. A. (2009), 106, 21619-21624, PubMed 19966220 , DOI 10.1073/pnas.0907665106 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16345 released on 2009-12-15
Title Solution structure and backbone dynamics of the permutant P54-55

Related entities 1. S6wt, : 1 : 100 : 157 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	entity	[U-15N]	0.8 ~ 1.2 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

2 3D 1H-15N TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	entity	[U-15N]	0.8 ~ 1.2 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

3 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	entity	[U-15N]	0.8 ~ 1.2 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

4 3D HNHA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	entity	[U-15N]	0.8 ~ 1.2 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

5 2D DQF-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
6	entity	natural abundance	0.8 ~ 1.2 mM
7	sodium chloride	natural abundance	50 mM
8	D2O	natural abundance	100 %

6 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
6	entity	natural abundance	0.8 ~ 1.2 mM
7	sodium chloride	natural abundance	50 mM
8	D2O	natural abundance	100 %

7 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Concentration
6	entity	natural abundance	0.8 ~ 1.2 mM
7	sodium chloride	natural abundance	50 mM
8	D2O	natural abundance	100 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16344_2kjv.nef
Input source #2: Coordindates	2kjv.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--------20--------30--------40--------50--------60--------70--------80--------90-------100
MRRYEVNIVLNPNLDQSQLALEKEIIQRALENYGARVEKVEELGLRRLAYPIAKDPQGYFLWYQVEMPEDRVNDLARELRIRDNVRRVMVVKSQEPFLAN
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MRRYEVNIVLNPNLDQSQLALEKEIIQRALENYGARVEKVEELGLRRLAYPIAKDPQGYFLWYQVEMPEDRVNDLARELRIRDNVRRVMVVKSQEPFLAN

-
A
|
A

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	101	0	0	100.0

Content subtype: combined_16344_2kjv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	647		98.0 (chain: A, length: 101)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	897 (1)	noe	98.0 (chain: A, length: 101)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	155 (155)	.	99.0 (chain: A, length: 101)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 101, Sequence coverage: 98.0%
- Total number of assignments
  - ¹H chemical shifts: 541
  - ¹⁵N chemical shifts: 106
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	658	541	82.2
¹⁵N chemical shifts	122	106	86.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	200	192	96.0
¹⁵N chemical shifts	96	93	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	458	349	76.2
¹⁵N chemical shifts	26	13	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	65	59	90.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	22	61.1
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 101, Sequence coverage: 98.0%
- Total number of restraints: 894
- Weight of restraints: 1.0 (894)
- Potential type of restraints: square-well-parabolic (894)
- Range of distance target values: 2.25, 3.65 (Å)
- Histogram of distance target values
- Histogram of discrepancy in 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: 101, Sequence coverage: 99.0%
- Total number of restraints: 155
- Total number of restraints per polymer type: 155
- Weight of restraints: 1.0 (155)
- Potential type of restraints: square-well-parabolic (155)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords backbone dynamics, NMR, S6, solution structure, folding

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BMRB: 16344

Sample #1

Sample #2

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. S6wt, : 1 : 100 : 157 entities Detail

Experiments performed 7 experiments Detail

Instrument

Sample

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Sample

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NMR combined restraints 4 contents Detail