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BMRB: 16008

2KQV

Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus

Authors

Johnson, M.A., Mohanty, B., Pedrini, B., Serrano, P., Chatterjee, A., Herrmann, T., Joseph, J., Saikatendu, K., Buchmeier, M.J., Kuhn, P., Wuthrich, K.

Assembly

SUD-C

Entity

1. SUD-C (polymer, Thiol state: not present), 67 monomers, 7586.350 Da Detail

GSEEHFVETV SLAGSYRDWS YSGQRTELGV EFLKRGDKIV YHTLESPVEF HLDGEVLSLD KLKSLLS

Formula weight

7586.35 Da

Source organism

SARS coronavirus Tor2

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.9 %, Completeness (bb): 98.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.9 % (747 of 779)	96.8 % (388 of 401)	94.2 % (292 of 310)	98.5 % (67 of 68)
Backbone	98.0 % (392 of 400)	97.1 % (135 of 139)	98.5 % (192 of 195)	98.5 % (65 of 66)
Sidechain	94.5 % (416 of 440)	96.6 % (253 of 262)	91.5 % (161 of 176)	100.0 % (2 of 2)
Aromatic	76.9 % (60 of 78)	89.7 % (35 of 39)	63.2 % (24 of 38)	100.0 % (1 of 1)
Methyl	100.0 % (76 of 76)	100.0 % (38 of 38)	100.0 % (38 of 38)

1. SUD-C

GSEEHFVETV SLAGSYRDWS YSGQRTELGV EFLKRGDKIV YHTLESPVEF HLDGEVLSLD KLKSLLS

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

LACS Plot; CA

Referencing offset: 0.31 ppm, Outliers: 3 Detail

LACS Plot; CB

Referencing offset: 0.31 ppm, Outliers: 3 Detail

LACS Plot; HA

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.52 ppm, Outliers: 3 Detail

Release date

2009-01-05

Citation

Nuclear magnetic resonance structure of the nucleic acid-binding domain of severe acute respiratory syndrome coronavirus nonstructural protein 3
Serrano, P., Johnson, M.A., Chatterjee, A., Neuman, B.W., Joseph, J.S., Buchmeier, M.J., Kuhn, P., Wuthrich, K.
J. Virol. (2009), 83, 12998-13008, PubMed 19828617 , DOI 10.1128/JVI.01253-09 , Abstract

Related entities 1. SUD-C, : 1 : 1 : 3 : 11 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

3 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

4 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

5 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

6 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

7 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SUD-C	[U-98% 13C; U-98% 15N]		1.2 mM
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		2.8 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16008_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: bmr16008_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	823		100.0 (chain: 1, length: 67)
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: 67, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 466
  - ¹³C chemical shifts: 291
  - ¹⁵N chemical shifts: 66
- 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