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In response to the declaration of global pandemic of Coronavirus infectious disease 2019 (COVID-19) caused by Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), we provide comprehensive content on Coronavirus molecular structures and its interactions:

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BMRB: 50620

8AOU

1H, 13C and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein)

Authors

Wang, Y., Kirkpatrick, J.P., Carlomagno, T.

Assembly

Nsp1

Entity

1. Nsp1 (polymer, Thiol state: all free), 182 monomers, 19903.18 Da Detail

GAMESLVPGF NEKTHVQLSL PVLQVRDVLV RGFGDSVEEV LSEARQHLKD GTCGLVEVEK GVLPQLEQPY VFIKRSDART APHGHVMVEL VAELEGIQYG RSGETLGVLV PHVGEIPVAY RKVLLRKNGN KGAGGHSYGA DLKSFDLGDE LGTDPYEDFQ ENWNTKHSSG VTRELMRELN GG

Formula weight

19903.18 Da

Source organism

Severe acute respiratory syndrome coronavirus 2

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 42.6 %, Completeness (bb): 79.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	42.6 % (881 of 2068)	17.8 % (190 of 1068)	65.3 % (524 of 802)	84.3 % (167 of 198)
Backbone	79.4 % (854 of 1076)	45.6 % (173 of 379)	98.3 % (514 of 523)	96.0 % (167 of 174)
Sidechain	16.0 % (184 of 1151)	2.5 % (17 of 689)	38.1 % (167 of 438)	0.0 % (0 of 24)
Aromatic	0.0 % (0 of 130)	0.0 % (0 of 65)	0.0 % (0 of 64)	0.0 % (0 of 1)
Methyl	7.6 % (16 of 210)	3.8 % (4 of 105)	11.4 % (12 of 105)

1. entity 1

GAMESLVPGF NEKTHVQLSL PVLQVRDVLV RGFGDSVEEV LSEARQHLKD GTCGLVEVEK GVLPQLEQPY VFIKRSDART APHGHVMVEL VAELEGIQYG RSGETLGVLV PHVGEIPVAY RKVLLRKNGN KGAGGHSYGA DLKSFDLGDE LGTDPYEDFQ ENWNTKHSSG VTRELMRELN GG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

Release date

2020-12-06

Citation

¹H, ¹³C, and ¹⁵N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein)
Wang, Y., Kirkpatrick, J., Zur Lage, S., Korn, S.M., Neissner, K., Schwalbe, H., Schlundt, A., Carlomagno, T.
Biomol. NMR Assign. (2021), 15, 287-295, PubMed 33770349 , DOI 10.1007/s12104-021-10019-6 , Abstract

Related entities 1. Nsp1, : 1 : 13 : 10 entities Detail

Interaction partners 1. Nsp1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

2 2D 1H-15N HSQC

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

3 3D HNCO

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

4 3D HNCO

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

5 3D HNCA

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

6 3D HNCACB

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

7 3D HN(CO)CA

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

8 3D HN(CO)CACB

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

9 3D HN(CA)CO

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Nsp1	[U-13C; U-15N]		350 uM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM
6	sodium azide	natural abundance		0.01 %
7	DSS	natural abundance		0.001 %
8	D2O	[U-2H]		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50620_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: bmr50620_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	835		98.4 (chain: 1, length: 182)
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: 182, Sequence coverage: 98.4%
- Total number of assignments
  - ¹³C chemical shifts: 505
  - ¹H chemical shifts: 165
  - ¹⁵N chemical shifts: 165
- 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 Coronavirus, Non-structural proteins, Nsp1, SARS-CoV-2