BMRB Entry 27030

Name: Chemical shift assignments of DANCER-0, a dynamic pentamutant of the B1 domain of streptococcal protein G (GB1)
Published: 2017-10-10

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27030

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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:

Chemical shift assignments of DANCER-0, a dynamic pentamutant of the B1 domain of streptococcal protein G (GB1)

Deposition date:

2017-02-10

Original release date:

2017-10-10

Authors:

Damry, Adam; Davey, James; Goto, Natalie; Chica, Roberto

Citation:

Citation: Davey, James; Damry, Adam; Goto, Natalie; Chica, Roberto. "Rational design of proteins that exchange on functional timescales." Nat. Chem. Biol. 13, 1280-1285 (2017).
PubMed: 29058725

Assembly members:

Assembly members:
DANCER-0, polymer, 64 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Streptococcus sp. GX7805 Taxonomy ID: 1325 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus Streptococcus sp. GX7805

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJ414

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DANCER-0: MHHHHHHGMTFKAIINGKTL KGETTTEAVDAATAEKVFKQ YFNDNGIDGEWTYDDATKTF TVTE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	203
15N chemical shifts	47
1H chemical shifts	305

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DANCER-0	1

Entities:

Entity 1, DANCER-0 64 residues - Formula weight is not available

1

MET

HIS

GLY

MET

THR

2

PHE

LYS

ALA

ILE

ASN

GLY

LYS

THR

LEU

3

LYS

GLY

GLU

THR

GLU

ALA

VAL

ASP

4

ALA

THR

ALA

GLU

LYS

VAL

PHE

LYS

GLN

5

TYR

PHE

ASN

ASP

ASN

GLY

ILE

ASP

GLY

GLU

6

TRP

THR

TYR

ASP

ALA

THR

LYS

THR

PHE

7

THR

VAL

THR

GLU

Samples:

sample_1: DANCER-0, [U-99% 13C; U-98% 15N], 1 mM; sodium phosphate 10 mM

sample_2: DANCER-0, [U-99% 13C; U-98% 15N], 1 mM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D HCCH-COSY	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

Varian INOVA 500 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks