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BMRB: 15723

2K87

NMR assignment of the nonstructural protein nsp3(1066-1181) from SARS-CoV

Authors

Wuthrich, K., Serrano, P., Johnson, M.A., Chatterjee, A., Pedrini, B.

Assembly

nsp3(1066-1181)

Entity

1. nsp3(1066-1181) (polymer, Thiol state: all free), 116 monomers, 13213.95 Da Detail

MYTEQPIDLV PTQPLPNASF DNFKLTCSNT KFADDLNQMT GFTKPASREL SVTFFPDLNG DVVAIDYRHY SASFKKGAKL LHKPIVWHIN QATTKTTFKP NTWCLRCLWS TKPVDT

Formula weight

13213.95 Da

Source organism

Severe acute respiratory syndrome-related coronavirus

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 95.8 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.8 % (1332 of 1391)	96.1 % (692 of 720)	95.5 % (525 of 550)	95.0 % (115 of 121)
Backbone	96.0 % (651 of 678)	96.9 % (219 of 226)	95.4 % (329 of 345)	96.3 % (103 of 107)
Sidechain	96.0 % (793 of 826)	95.7 % (473 of 494)	96.9 % (308 of 318)	85.7 % (12 of 14)
Aromatic	90.8 % (138 of 152)	90.8 % (69 of 76)	90.4 % (66 of 73)	100.0 % (3 of 3)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. nsp3(1066-1181)

MYTEQPIDLV PTQPLPNASF DNFKLTCSNT KFADDLNQMT GFTKPASREL SVTFFPDLNG DVVAIDYRHY SASFKKGAKL LHKPIVWHIN QATTKTTFKP NTWCLRCLWS TKPVDT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

LACS Plot; CA

Referencing offset: 0.78 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.78 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 2.97 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K87, Strand ID: A Detail

Release date

2008-04-17

Citation

NMR assignment of the nonstructural protein nsp3(1066-1181) from SARS-CoV
Serrano, P., Johnson, M.A., Chatterjee, A., Pedrini, B., Wuthrich, K.
Biomol. NMR Assign. (2008), 2, 135-138, PubMed 19636888 , DOI 10.1007/s12104-008-9104-x , Abstract

Related entities 1. nsp3(1066-1181), : 1 : 2 : 17 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

3 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

4 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

6 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

10 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	nsp3(1066-1181)	[U-99% 13C; U-99% 15N]		1.4 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		2 mM
4	sodium phosphate	natural abundance		50 mM

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