BMRB Entry 26716
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26716
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Backbone HN, 15N, 13Ca shifts for GB1 in 0%, 10%, 25%, 50% ionic liquid [C4-mim]Br, and KBr PubMed: 28717785
Deposition date: 2015-12-07 Original release date: 2017-08-11
Authors: Warner, Lisa; Varga, Krisztina
Citation: Warner, Lisa; Gjersing, Erica; Follett, Shelby; Elliott, K Wade; Dzyuba, Sergei; Varga, Krisztina. "The effects of high concentrations of ionic liquid on GB1 protein structure and dynamics probed by high-resolution magic-angle-spinning NMR spectroscopy" Biochem. Biophys. Rep. 8, 75-80 (2016).
Assembly members:
GB1, polymer, 56 residues, Formula weight is not available
Natural source: Common Name: Streptococcal bacteria Taxonomy ID: 1301 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcal bacteria
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: NA
Entity Sequences (FASTA):
GB1: MQYKLILNGKTLKGETTTEA
VDAATAEKVFKQYANDNGVD
GEWTYDDATKTFTVTE
Data type | Count |
13C chemical shifts | 280 |
15N chemical shifts | 294 |
1H chemical shifts | 309 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | GB1 | 1 |
Entities:
Entity 1, GB1 56 residues - Formula weight is not available
1 | MET | GLN | TYR | LYS | LEU | ILE | LEU | ASN | GLY | LYS | ||||
2 | THR | LEU | LYS | GLY | GLU | THR | THR | THR | GLU | ALA | ||||
3 | VAL | ASP | ALA | ALA | THR | ALA | GLU | LYS | VAL | PHE | ||||
4 | LYS | GLN | TYR | ALA | ASN | ASP | ASN | GLY | VAL | ASP | ||||
5 | GLY | GLU | TRP | THR | TYR | ASP | ASP | ALA | THR | LYS | ||||
6 | THR | PHE | THR | VAL | THR | GLU |
Samples:
0%_IL: GB1, [U-100% 13C; U-100% 15N], 1.3 mM; potassium phosphate 50 mM; D2O, [U-2H], 20%
10%_IL: GB1, [U-100% 13C; U-100% 15N], 1.3 mM; potassium phosphate 50 mM; D2O, [U-2H], 20%; [C4-mim] Br 10%
25%_IL: GB1, [U-100% 13C; U-100% 15N], 1.3 mM; potassium phosphate 50 mM; D2O, [U-2H], 20%; [C4-mim] Br 25%
50%_IL: GB1, [U-100% 13C; U-100% 15N], 1.3 mM; potassium phosphate 50 mM; D2O, [U-2H], 20%; [C4-mim] Br 50%
KBr: GB1, [U-100% 13C; U-100% 15N], 1.3 mM; potassium phosphate 50 mM; D2O, [U-2H], 20%; KBr 2.9 M
sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 273 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | 0%_IL | isotropic | sample_conditions_1 |
3D HNCA | 0%_IL | isotropic | sample_conditions_1 |
Software:
CCPN_Analysis v2.4.2, CCPN - chemical shift assignment, chemical shift calculation, data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts