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BMRB: 51339

8E6Y

Chemical shift assignment of Sa1_V90T at 30 degrees Celsius

Authors

Solomon, T.L., He, Y., Orban, J.

Assembly

Sa1 V90T

Entity

1. Sa1 V90T (polymer, Thiol state: not present), 95 monomers, 10587.18 Da Detail

SKTFEVNIVL NPNLDQKQLA QAKELAIKAL KQYGIGVEKI KLIGNAKTVE AVEKLKQGIL LVYQIEAPAD RVNDLARELR ILDAVRRVET TYAAD

Formula weight

10587.18 Da

Source organism

Escherichia coli

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.8 %, Completeness: 40.7 %, Completeness (bb): 81.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.7 % (463 of 1138)	20.8 % (123 of 591)	58.7 % (257 of 438)	76.1 % (83 of 109)
Backbone	81.8 % (463 of 566)	64.1 % (123 of 192)	91.5 % (257 of 281)	89.2 % (83 of 93)
Sidechain	12.8 % (85 of 663)	0.0 % (0 of 399)	34.3 % (85 of 248)	0.0 % (0 of 16)
Aromatic	0.0 % (0 of 34)	0.0 % (0 of 17)	0.0 % (0 of 17)
Methyl	8.1 % (12 of 148)	0.0 % (0 of 74)	16.2 % (12 of 74)

1. entity 1

SKTFEVNIVL NPNLDQKQLA QAKELAIKAL KQYGIGVEKI KLIGNAKTVE AVEKLKQGIL LVYQIEAPAD RVNDLARELR ILDAVRRVET TYAAD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
3	Sa1 V90T	[U-13C; U-15N]		250 uM
4	potassium phosphate	natural abundance		100 mM

Release date

2022-02-21

Citation

Reversible switching between two common protein folds in a designed system using only temperature
Solomon, T.L., He, Y., Sari, N., Chen, Y., Gallagher, D.T., Bryan, P.N., Orban, J.
Proc. Natl. Acad. Sci. U. S. A. (2023), 120, e2215418120-e2215418120, PubMed 36669114 , DOI 10.1073/pnas.2215418120 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 51338 released on 2022-02-21
Title Chemical shift assignment of Sa1_V90T at 5 degrees Celsius

Related entities 1. Sa1 V90T, : 1 : 1 : 188 entities Detail

Experiments performed 8 experiments Detail

1 3D HNCACB

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

3 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

4 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
3	Sa1 V90T	[U-13C; U-15N]		250 uM
4	potassium phosphate	natural abundance		100 mM

5 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

6 3D HNHA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

7 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
3	Sa1 V90T	[U-13C; U-15N]		250 uM
4	potassium phosphate	natural abundance		100 mM

8 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Sa1 V90T	[U-13C; U-15N]		250 uM
2	potassium phosphate	natural abundance		100 mM

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