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BMRB: 4369

3A1P

1H, 15N and 13C Assigned Chemical Shifts of S19 from Thermus thermophilus

Authors

Helgstrand, M., Rak, A.V., Allard, P., Davydova, N., Garber, M.B., Hard, T.

Assembly

S19

Entity

1. S19 (polymer), 93 monomers, 10581.26 Da Detail

MPRSLKKGVF VDDHLLEKVL ELNAKGEKRL IKTWSRRSTI VPEMVGHTIA VYNGKQHVPV YITENMVGHK LGEFAPTRTY RGHGKEAKAT KKK

Formula weight

10581.26 Da

Source organism

Thermus thermophilus

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 80.6 %, Completeness: 58.1 %, Completeness (bb): 64.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	58.1 % (654 of 1125)	64.0 % (379 of 592)	45.3 % (199 of 439)	80.9 % (76 of 94)
Backbone	64.0 % (352 of 550)	77.9 % (148 of 190)	49.1 % (133 of 271)	79.8 % (71 of 89)
Sidechain	54.1 % (357 of 660)	57.5 % (231 of 402)	47.8 % (121 of 253)	100.0 % (5 of 5)
Aromatic	30.3 % (23 of 76)	57.9 % (22 of 38)	0.0 % (0 of 37)	100.0 % (1 of 1)
Methyl	79.8 % (83 of 104)	88.5 % (46 of 52)	71.2 % (37 of 52)

1. S19

MPRSLKKGVF VDDHLLEKVL ELNAKGEKRL IKTWSRRSTI VPEMVGHTIA VYNGKQHVPV YITENMVGHK LGEFAPTRTY RGHGKEAKAT KKK

Show sample condition

Sample

Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

LACS Plot; CA

Referencing offset: -0.48 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.48 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 4 Detail

Release date

1999-10-25

Citation 1

Evidence for breaking domain-domain functional communication in a synthetase-tRNA complex
Helgstrand, M., Rak, A.V., Allard, P., Davydova, N., Garber, M.B., Hard, T.
Biochemistry (1999), 38, 16359-16365, PubMed 10587461 , Abstract

Show more 1 citaion

Citation 2

Automated and semiautomated analysis of homo- and heteronuclear multidimensional nuclear magnetic resonance spectra of proteins: the program Pronto
Kjaer, M., Andersen, K.V., Poulsen, F.M.
Methods. Enzymol. (1994), 239, 288-307, PubMed 7830586 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. S19, : 1 : 100 : 239 entities Detail

Experiments performed 13 experiments Detail

1 HNCA

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

2 HN(CO)CA

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

3 CBCANH

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

4 CBCA(CO)NH

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

5 C(CO)NH-TOCSY

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

6 HCCH-TOCSY

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

7 (HB)CB(CGCD)HD

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

8 (HB)CB(CGCDCE)HE

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

9 15N-edited NOESY-HSQC

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

10 15N-edited TOCSY-HSQC

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

11 3D HNHA

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

12 2D NOESY

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

13 2D TOCSY

Instrument

Varian Unity-Inova - 500 MHz

Sample

State isotropic, Temperature 303 (±1) K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Type	Concentration
1	S19	[U-13C; U-15N]		0.9 ~ 1.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4369_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: bmr4369_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	695		75.3 (chain: 1, length: 93)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 93, Sequence coverage: 75.3%
- Total number of assignments
  - ¹³C chemical shifts: 172
  - ¹H chemical shifts: 451
  - ¹⁵N chemical shifts: 72
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords ribosomal protein, ribosome, S19, Thermus thermophilus