BMRB Entry 51056
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51056
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Chemical shifts and relaxation data from DREB2A with RCD1-RST PubMed: 34473923
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: 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).
Assembly members:
entity_1, polymer, 44 residues, Formula weight is not available
entity_2, polymer, 75 residues, Formula weight is not available
Natural source: Common Name: Thale cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-4T1
Entity Sequences (FASTA):
entity_1: GQDSLSVADYGWPNDVDQSH
LDSSDMFDVDELLRDLNGDD
VFAG
entity_2: MSTTRPKSPWMPFPTLFAAI
SHKVAENDMLLINADYQQLR
DKKMTRAEFVRKLRVIVGDD
LLRSTITTLQNQPKS
- assigned_chemical_shifts
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 271 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 107 |
| T1 relaxation values | 107 |
| T2 relaxation values | 107 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DREB2A | 1 |
| 2 | RCD1-RST | 2 |
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 | SER | ASP | MET | PHE | ASP | VAL | ASP | ||||
| 4 | GLU | LEU | LEU | ARG | ASP | LEU | ASN | GLY | ASP | ASP | ||||
| 5 | VAL | PHE | ALA | GLY |
Entity 2, RCD1-RST 75 residues - Formula weight is not available
Arabidopsis thaliana
| 1 | MET | SER | THR | THR | ARG | PRO | LYS | SER | PRO | TRP | ||||
| 2 | MET | PRO | PHE | PRO | THR | LEU | PHE | ALA | ALA | ILE | ||||
| 3 | SER | HIS | LYS | VAL | ALA | GLU | ASN | ASP | MET | LEU | ||||
| 4 | LEU | ILE | ASN | ALA | ASP | TYR | GLN | GLN | LEU | ARG | ||||
| 5 | ASP | LYS | LYS | MET | THR | ARG | ALA | GLU | PHE | VAL | ||||
| 6 | ARG | LYS | LEU | ARG | VAL | ILE | VAL | GLY | ASP | ASP | ||||
| 7 | LEU | LEU | ARG | SER | THR | ILE | THR | THR | LEU | GLN | ||||
| 8 | ASN | GLN | PRO | LYS | SER |
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:
| 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 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_2 | isotropic | sample_conditions_1 |
| T1/R1 relaxation | sample_1 | isotropic | sample_conditions_1 |
| T2/R2 relaxation | sample_1 | isotropic | sample_conditions_1 |
| T1/R1 relaxation | sample_2 | isotropic | sample_conditions_1 |
| T2/R2 relaxation | sample_2 | 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 shifts
SPARKY: Backbone
or all simulated shifts