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BMRB: 4134

1KRS

NMR Assignments for Denatured LysN

Authors

Alexandrescu, A.T., Jaravine, V.A., Lamour, F.P.

Assembly

den-LysN

Entity

1. den-LysN (polymer), 120 monomers, 13524.20 Da Detail

AEQGIAFPND FRRDHTSDQL HAEFDGKENE ELEALNIEVA VAGRMMTRRI MGKASFVTLQ DVGGRIQLYV ARDDLPEGVY NEQFKKWDLG DILGAKGKLF KTKTGELSIH CTELRLLTKA

Formula weight

13524.2 Da

Source organism

Escherichia coli

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 54.6 %, Completeness (bb): 80.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.6 % (765 of 1402)	54.3 % (397 of 731)	46.4 % (252 of 543)	90.6 % (116 of 128)
Backbone	80.9 % (579 of 716)	90.4 % (225 of 249)	68.2 % (238 of 349)	98.3 % (116 of 118)
Sidechain	36.9 % (293 of 795)	35.7 % (172 of 482)	39.9 % (121 of 303)	0.0 % (0 of 10)
Aromatic	10.0 % (10 of 100)	12.0 % (6 of 50)	8.2 % (4 of 49)	0.0 % (0 of 1)
Methyl	35.1 % (47 of 134)	46.3 % (31 of 67)	23.9 % (16 of 67)

1. lysl-tRNA synthetase

AEQGIAFPND FRRDHTSDQL HAEFDGKENE ELEALNIEVA VAGRMMTRRI MGKASFVTLQ DVGGRIQLYV ARDDLPEGVY NEQFKKWDLG DILGAKGKLF KTKTGELSIH CTELRLLTKA

Show sample condition

Sample #1

Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

LACS Plot; CA

Referencing offset: -0.09 ppm, Outliers: 7 Detail

LACS Plot; CB

Referencing offset: -0.09 ppm, Outliers: 7 Detail

LACS Plot; HA

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Release date

1999-06-16

Citation 1

NMR Assignments for denatured LysN
Alexandrescu, A.T., Jaravine, V.A., Lamour, F.P.

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. den-LysN, : 1 : 1 : 8 : 134 entities Detail

Interaction partners 1. den-LysN, : 24 interactors Detail

More details for 24 interactors identified by 3 citations

Experiments performed 26 experiments Detail

1 NMR spectral acquisition parameters

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

2 t3 H 599.9094119 146ms . 7000Hz No 1024 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

3 t2 C 150.8529083 7.7ms . 8300Hz No 64 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

4 t1 N 60.7952139 21ms . 1540Hz No 32 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

5 NMR spectral processing parameters

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

6 D1 H sine-bell 1024 90 Zero-fill 2048

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

7 D2 C squared-sine-bell 64 70 Zero-fill 128

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

8 D3 N linear predict 32 to 48 squaredsine-bell 48 70 Zero-fill 64

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
5	lysl-tRNA_synthetase	[U-15N]		1 mM
6	urea			3 M
7	H2O			90 %
8	D2O			10 %

9 46 ms mix time

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

10 NMR spectral acquisition parameters

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

11 t3 H 600.1328206MHz 85ms 46ms 6009.615Hz No 512 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

12 t2 N 60.8178387MHz 21ms . 1521Hz No 32 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

13 t1 H 600.1328206MHz 21ms . 6009.615Hz No 128 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

14 NMR spectral processing parameters

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

15 3D [1H-15N] TOCSY-HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

16 D1 H gm -10 0.1 Zero-fill 1024

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

17 D2 N lpl 32 to 48 gm -13 0.1 Zero-fill 64

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

18 D3 H gm -13 0.1 zf 256

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

19 200 ms mix time

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

20 t3 H 599.9094183MHz 146ms 200ms 7000Hz No 1024 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

21 t2 H 599.9094183MHz 18ms . 7000Hz No 128 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

22 t1 N 60.7951139MHz 21ms . 1540Hz No 32 complex .

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

23 3D [1H-15N] NOESY-HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

24 D1 H gm -5 0.1 Zero-fill 2048

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

25 D2 H gm -7 0.1 Zero-fill 256

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

26 D3 N lpl 32 to 48 gm -15 0.1 Zero-fill 64

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8

#	Name	Isotope labeling	Type	Concentration
1	lysl-tRNA_synthetase	[U-15N; U-13C]		1.5 mM
2	urea			3 M
3	H2O			90 %
4	D2O			10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4134_3.str
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

Content subtype: bmr4134_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	754		99.2 (chain: 1, length: 120)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 120, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 420
  - ¹³C chemical shifts: 219
  - ¹⁵N chemical shifts: 115
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords denatured state, lysyl-tRNA synthetase, OB-fold, protein folding