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BMRB: 50517

7P2O

Nsp3c SUD-C

Authors

Gallo, A., Tsika, A.C., Fourkiotis, N.K., Spyroulias, G.A.

Assembly

Nsp3c SUD C

Entity

1. Nsp3c SUD C (polymer, Thiol state: not present), 66 monomers, 7424.072 Da Detail

GSEEHFIETI SLAGSYKDWS YSGQSTQLGI EFLKRGDKSV YYTSNPTTFH LDGEVITFDN LKTLLS

Formula weight

7424.072 Da

Source organism

Severe acute respiratory syndrome coronavirus 2

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 95.4 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.4 % (732 of 767)	95.4 % (374 of 392)	95.7 % (291 of 304)	94.4 % (67 of 71)
Backbone	97.0 % (382 of 394)	94.9 % (130 of 137)	99.0 % (190 of 192)	95.4 % (62 of 65)
Sidechain	94.7 % (410 of 433)	95.7 % (244 of 255)	93.6 % (161 of 172)	83.3 % (5 of 6)
Aromatic	79.3 % (73 of 92)	82.6 % (38 of 46)	75.6 % (34 of 45)	100.0 % (1 of 1)
Methyl	100.0 % (68 of 68)	100.0 % (34 of 34)	100.0 % (34 of 34)

1. entity 1

GSEEHFIETI SLAGSYKDWS YSGQSTQLGI EFLKRGDKSV YYTSNPTTFH LDGEVITFDN LKTLLS

Show sample condition

Sample

Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

Release date

2020-10-18

Citation

¹H,¹³C and ¹⁵N chemical shift assignments of the SUD domains of SARS-CoV-2 non-structural protein 3c: "The SUD-M and SUD-C domains"
Gallo, A., Tsika, A.C., Fourkiotis, N.K., Cantini, F., Banci, L., Sreeramulu, S., Schwalbe, H., Spyroulias, G.A.
Biomol. NMR Assign. (2021), 15, 165-171, PubMed 33423172 , DOI 10.1007/s12104-020-10000-9 , Abstract

Related entities 1. Nsp3c SUD C, : 1 : 1 : 17 entities Detail

Experiments performed 28 experiments Detail

1 (Hb)CB(CgCd)HD

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

2 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

3 3D HN(CO)CACB

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

4 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

5 3D HN(CA)CO

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

6 3D HNCO

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

7 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

8 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

9 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

10 3D HN(CO)CA

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

11 2D HSQC HC

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

12 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

13 3D HNCACB

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

14 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

15 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

16 1D 1H

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

17 3D HN(CO)CACB

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

18 (Hb)CB(CgCdCe)HE

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

19 1D 1H

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

20 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

21 HBHA(CBCACO)NH

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

22 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

23 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

24 3D HN(CO)CACB

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

25 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

26 3D HNCA

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

27 (H)CCH-TOCSY 3D

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

28 2D HSQC HN

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.73 mM
2	NaPi	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	EDTA	natural abundance		2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50517_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: bmr50517_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	804		98.5 (chain: 1, length: 66)
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: 66, Sequence coverage: 98.5%
- Total number of assignments
  - ¹H chemical shifts: 446
  - ¹³C chemical shifts: 291
  - ¹⁵N chemical shifts: 67
- 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