BMRB Entry 51055

Name: Chemical shifts and relaxation data from DREB2A 243-276
Published: 2021-09-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51055

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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 shifts and relaxation data from DREB2A 243-276

Deposition date:

2021-08-11

Original release date:

2021-09-04

Authors:

Theisen, Frederik; Staby, Lasse; Tidemand, Frederik; O'Shea, Charlotte; Prestel, Andreas; Willemoes, Martin; Kragelund, Birthe; Skriver, Karen

Citation:

Citation: Theisen, Frederik; Staby, Lasse; Tidemand, Frederik; O'Shea, Charlotte; Prestel, Andreas; Willemoes, Martin; Kragelund, Birthe; Skriver, Karen. "Quantification of Conformational Entropy Unravels Effect of Disordered Flanking Region in Coupled Folding and Binding" J. Am. Chem. Soc. 143, 14540-14550 (2021).
PubMed: 34473923

Assembly members:

Assembly members:
entity_1, polymer, 44 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Thale cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-4T1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GQDSLSVADYGWPNDVDQSH LDSSDMFDVDELLRDLNGDD VFAG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
heteronucl_T1_relaxation
- heteronucl_T1_relaxation_1
heteronucl_T2_relaxation
- heteronucl_T2_relaxation_1

Data type	Count
13C chemical shifts	126
15N chemical shifts	40
1H chemical shifts	40
T1 relaxation values	40
T2 relaxation values	40

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DREB2A	1

Entities:

Entity 1, DREB2A 44 residues - Formula weight is not available

Arabidopsis thaliana

1

GLY

GLN

ASP

SER

LEU

SER

VAL

ALA

ASP

TYR

2

GLY

TRP

PRO

ASN

ASP

VAL

ASP

GLN

SER

HIS

3

LEU

ASP

SER

ASP

MET

PHE

ASP

VAL

ASP

4

GLU

LEU

ARG

ASP

LEU

ASN

GLY

ASP

5

VAL

PHE

ALA

GLY

Samples:

sample_1: D2O 10%; DSS 0.2 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 0.02%; DREB2A, [U-100% 13C; U-100% 15N], 200 uM

sample_conditions_1: pH: 7; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
T1/R1 relaxation	sample_1	isotropic	sample_conditions_1
T2/R2 relaxation	sample_1	isotropic	sample_conditions_1

Software:

ANALYSIS - chemical shift assignment

CcpNMR - processing

NMRPipe - processing

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 750 MHz

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