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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: 50337

7LHQ

SARS Cov2 nsp7 backbone assignments

Authors

Tonelli, M., Kirchdoerf, R., Henzler-Wildman, K.

Assembly

nsp7

Entity

1. nsp7 (polymer, Thiol state: all free), 84 monomers, 9296.780 Da Detail

GSKMSDVKCT SVVLLSVLQQ LRVESSSKLW AQCVQLHNDI LLAKDTTEAF EKMVSLLSVL LSMQGAVDIN KLCEEMLDNR ATLQ

Formula weight

9296.78 Da

Source organism

Severe acute respiratory syndrome coronavirus 2

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.4 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	99.4 % (966 of 972)	99.4 % (497 of 500)	99.5 % (374 of 376)	99.0 % (95 of 96)
Backbone	98.8 % (498 of 504)	98.2 % (167 of 170)	99.2 % (248 of 250)	98.8 % (83 of 84)
Sidechain	100.0 % (550 of 550)	100.0 % (330 of 330)	100.0 % (208 of 208)	100.0 % (12 of 12)
Aromatic	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (12 of 12)	100.0 % (1 of 1)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. entity 1

GSKMSDVKCT SVVLLSVLQQ LRVESSSKLW AQCVQLHNDI LLAKDTTEAF EKMVSLLSVL LSMQGAVDIN KLCEEMLDNR ATLQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

Release date

2020-06-21

Citation

¹H, ¹³C, and ¹⁵N backbone and side chain chemical shift assignments of the SARS-CoV-2 non-structural protein 7
Tonelli, M., Rienstra, C., Anderson, T.K., Kirchdoerf, R., Henzler-Wildman, K.
Biomol. NMR Assign. (2021), 15, 73-77, PubMed 33219414 , DOI 10.1007/s12104-020-09985-0 , Abstract

Related entities 1. nsp7, : 1 : 1 : 87 : 56 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

2 3D HNCACB

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

3 3D CBCA(CO)NH

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

4 3D HNCO

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

5 3D HN(CA)CO

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

6 2D 1H-13C-HSQC aliphatic

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

7 3D C(CO)NH

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

8 3D HBHA(CO)NH

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

9 3D H(CCO)NH

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

10 3D H(C)CH-TOCSY aliphatic

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

11 3D NOESY 1H-13C-HSQC aliphatic

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

12 2D 1H-13C-HSQC aromatic

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

13 3D (HB)CB(CGCD)HE

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

14 3D H(C)CH-TOCSY aromatic

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

15 2D NOESY 1H-13C-HSQC aromatic

Instrument

Varian VXRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	nsp7	[U-100% 13C; U-100% 15N]		1.7 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		2 mM
5	sodium azide	natural abundance		0.05 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50337_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: bmr50337_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1090		98.8 (chain: 1, length: 84)
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: 84, Sequence coverage: 98.8%
- Total number of assignments
  - ¹H chemical shifts: 625
  - ¹³C chemical shifts: 372
  - ¹⁵N chemical shifts: 93
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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