BMRB Entry 51056

Title:
Chemical shifts and relaxation data from DREB2A with RCD1-RST
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
entity_2, polymer, 75 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

Data typeCount
13C chemical shifts271
15N chemical shifts107
1H chemical shifts107
T1 relaxation values107
T2 relaxation values107

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1DREB2A1
2RCD1-RST2

Entities:

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

Arabidopsis thaliana

1   GLYGLNASPSERLEUSERVALALAASPTYR
2   GLYTRPPROASNASPVALASPGLNSERHIS
3   LEUASPSERSERASPMETPHEASPVALASP
4   GLULEULEUARGASPLEUASNGLYASPASP
5   VALPHEALAGLY

Entity 2, RCD1-RST 75 residues - Formula weight is not available

Arabidopsis thaliana

1   METSERTHRTHRARGPROLYSSERPROTRP
2   METPROPHEPROTHRLEUPHEALAALAILE
3   SERHISLYSVALALAGLUASNASPMETLEU
4   LEUILEASNALAASPTYRGLNGLNLEUARG
5   ASPLYSLYSMETTHRARGALAGLUPHEVAL
6   ARGLYSLEUARGVALILEVALGLYASPASP
7   LEULEUARGSERTHRILETHRTHRLEUGLN
8   ASNGLNPROLYSSER

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; RCD1-RST 300 uM

sample_2: D2O 10%; DSS 0.2 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 0.02%; RCD1-RST, [U-100% 13C; U-100% 15N], 300 uM; DREB2A 400 uM

sample_conditions_1: pH: 7; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(CO)CACBsample_2isotropicsample_conditions_1
T1/R1 relaxationsample_1isotropicsample_conditions_1
T2/R2 relaxationsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_2isotropicsample_conditions_1
T2/R2 relaxationsample_2isotropicsample_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