BMRB Entry 26716

Name: Backbone HN, 15N, 13Ca shifts for GB1 in 0%, 10%, 25%, 50% ionic liquid [C4-mim]Br, and KBr
Published: 2017-08-11

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26716

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone HN, 15N, 13Ca shifts for GB1 in 0%, 10%, 25%, 50% ionic liquid [C4-mim]Br, and KBr

Deposition date:

2015-12-07

Original release date:

2017-08-11

Authors:

Warner, Lisa; Varga, Krisztina

Citation:

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).
PubMed: 28717785

Assembly members:

Assembly members:
GB1, polymer, 56 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Streptococcal bacteria Taxonomy ID: 1301 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcal bacteria

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: NA

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GB1: MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTE

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	280
15N chemical shifts	294
1H chemical shifts	309

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

GLU

ALA

3

VAL

ASP

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

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 peaks
SPARKY: Backbone or all simulated peaks