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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: 16613

2KQW

SARS Coronavirus-unique domain (SUD): Three-domain molecular architecture in solution and RNA binding

Authors

Johnson, M.A., Chatterjee, A., Wuthrich, K.

Assembly

SUD-MC

Entity

1. SUD-MC (polymer, Thiol state: all free), 198 monomers, 22177.17 Da Detail

GSHMGTVSWN LREMLAHAEE TRKLMPICMD VRAIMATIQR KYKGIKIQEG IVDYGVRFFF YTSKEPVASI ITKLNSLNEP LVTMPIGYVT HGFNLEEAAR CMRSLKAPAV VSVSSPDAVT TYNGYLTSSS KTSEEHFVET VSLAGSYRDW SYSGQRTELG VEFLKRGDKI VYHTLESPVE FHLDGEVLSL DKLKSLLS

Formula weight

22177.17 Da

Source organism

Severe acute respiratory syndrome-related coronavirus

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 90.0 %, Completeness (bb): 85.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.0 % (2069 of 2298)	97.6 % (1157 of 1185)	78.3 % (714 of 912)	98.5 % (198 of 201)
Backbone	85.0 % (998 of 1174)	97.5 % (392 of 402)	71.9 % (418 of 581)	98.4 % (188 of 191)
Sidechain	95.9 % (1255 of 1309)	97.7 % (765 of 783)	93.0 % (480 of 516)	100.0 % (10 of 10)
Aromatic	81.6 % (155 of 190)	98.9 % (94 of 95)	63.4 % (59 of 93)	100.0 % (2 of 2)
Methyl	100.0 % (234 of 234)	100.0 % (117 of 117)	100.0 % (117 of 117)

1. SUD-MC

GSHMGTVSWN LREMLAHAEE TRKLMPICMD VRAIMATIQR KYKGIKIQEG IVDYGVRFFF YTSKEPVASI ITKLNSLNEP LVTMPIGYVT HGFNLEEAAR CMRSLKAPAV VSVSSPDAVT TYNGYLTSSS KTSEEHFVET VSLAGSYRDW SYSGQRTELG VEFLKRGDKI VYHTLESPVE FHLDGEVLSL DKLKSLLS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Release date

2010-06-14

Citation

SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding
Johnson, M.A., Chatterjee, A., Neuman, B.W., Wuthrich, K.
J. Mol. Biol. (2010), 400, 724-742, PubMed 20493876 , DOI 10.1016/j.jmb.2010.05.027 , Abstract

Related entities 1. SUD-MC, : 1 : 1 : 8 entities Detail

Experiments performed 9 experiments Detail

1 2D [15N,1H]-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 2D [13C,1H]-HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 3D 15N-resolved [1H,1H-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 3D aliphatic 13C-resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

5 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

6 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

7 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 4D APSY-HNCOCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

9 3D aromatic 13C-resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	SUD-MC	[U-98% 13C; U-98% 15N]		1.0 mM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16613_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: bmr16613_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	2283		99.0 (chain: 1, length: 198)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 198, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 1407
  - ¹³C chemical shifts: 675
  - ¹⁵N chemical shifts: 201
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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