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BMRB: 50507

7N45

1H, 15N and 13C NMR assignments of the N-terminal domain of HKU1-bCoV nucleoprotein.

Authors

Caruso, I.P., Marques, A.L., Santana-Silva, M.C., Araujo, G.R., Bezerra, P.R., Almeida, F.C.L., Amorim, G.C.

Assembly

N-NTD

Entity

1. N-NTD (polymer, Thiol state: not present), 138 monomers, 15455.79 Da Detail

GNTIPHYSWF SGITQFQKGR DFKFSDGQGV PIAFGVPPSE AKGYWYRHSR RSFKTADGQQ KQLLPRWYFY YLGTGPYANA SYGESLEGVF WVANHQADTS TPSDVSSRDP TTQEAIPTRF PPGTILPQGY YVEGSGRS

Formula weight

15455.79 Da

Source organism

Betacoronavirus

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.2 %, Completeness (bb): 95.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (1474 of 1617)	92.7 % (776 of 837)	89.0 % (561 of 630)	91.3 % (137 of 150)
Backbone	95.4 % (767 of 804)	97.5 % (273 of 280)	94.0 % (374 of 398)	95.2 % (120 of 126)
Sidechain	87.6 % (819 of 935)	89.8 % (500 of 557)	85.6 % (303 of 354)	66.7 % (16 of 24)
Aromatic	64.8 % (149 of 230)	67.8 % (78 of 115)	60.4 % (67 of 111)	100.0 % (4 of 4)
Methyl	94.0 % (94 of 100)	94.0 % (47 of 50)	94.0 % (47 of 50)

1. HKU1-CoV nucleoprotein N-terminal domain

GNTIPHYSWF SGITQFQKGR DFKFSDGQGV PIAFGVPPSE AKGYWYRHSR RSFKTADGQQ KQLLPRWYFY YLGTGPYANA SYGESLEGVF WVANHQADTS TPSDVSSRDP TTQEAIPTRF PPGTILPQGY YVEGSGRS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

Release date

2020-10-11

Citation

¹H, ¹⁵N and ¹³C resonance assignments of the N-terminal domain of the nucleocapsid protein from the endemic human coronavirus HKU1
de Luna Marques, A., Caruso, I.P., Santana-Silva, M.C., Bezerra, P.R., Araujo, G.R., Almeida, F., Amorim, G.C.
Biomol. NMR Assign. (2021), 15, 153-157, PubMed 33389548 , DOI 10.1007/s12104-020-09998-9 , Abstract

Related entities 1. N-NTD, : 1 : 1 : 103 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

4 2D HBCBCGCDHD

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

5 2D HBCBCGCDCEHE

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

6 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

7 3D HNCO

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

8 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

9 3D HNCA

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

10 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

11 3D (H)CCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

12 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

13 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

14 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

15 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	N-NTD	[U-98% 13C; U-98% 15N]		250 uM
2	sodium phosphate	natural abundance		20 mM
3	PMSF	natural abundance		0.5 mM
4	sodium chloride	natural abundance		50 mM
5	sodium azide	natural abundance		3 mM
6	EDTA	natural abundance		3 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50507_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: bmr50507_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1571		100.0 (chain: 1, length: 138)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 138, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 875
  - ¹³C chemical shifts: 561
  - ¹⁵N chemical shifts: 135
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- 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 HKU1-CoV, N-terminal domain, endemic coronavirus, nucleoprotein