BMRB Entry 50603
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50603
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Title: Human Glucocorticoid Receptor DNA binding domain (DBD) assigned chemical shifts PubMed: 33901472
Deposition date: 2020-11-30 Original release date: 2021-05-07
Authors: Grasso, Emily; Majumdar, Ananya; Wrabl, James; Frueh, Dominique; Hilser, Vincent
Citation: Grasso, Emily; Majumdar, Ananya; Wrabl, James; Frueh, Dominique; Hilser, Vincent. "Conserved allosteric ensembles in a disordered protein using TROSY/Anti-TROSY R 2-filtered spectroscopy" Biophys. J. 120, 2498-2510 (2021).
Assembly members:
entity_1, polymer, 87 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pj411
Entity Sequences (FASTA):
entity_1: GSGSWLCLVCSDEASGCHYG
VLTCGSCKVFFKRAVEGQHN
YLCAGRNDCIIDKIRRKNCP
ACRYRKCLQAGMNLEARKTK
KKIKGIQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 238 |
| 15N chemical shifts | 82 |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | protein | 1 |
| 2 | zinc 1 | 2 |
| 3 | zinc 2 | 2 |
Entities:
Entity 1, protein 87 residues - Formula weight is not available
The initial 5 amino acids remain after thrombin cleavage; residue 420 is the initial L in the sequence.
| 1 | GLY | SER | GLY | SER | TRP | LEU | CYS | LEU | VAL | CYS | ||||
| 2 | SER | ASP | GLU | ALA | SER | GLY | CYS | HIS | TYR | GLY | ||||
| 3 | VAL | LEU | THR | CYS | GLY | SER | CYS | LYS | VAL | PHE | ||||
| 4 | PHE | LYS | ARG | ALA | VAL | GLU | GLY | GLN | HIS | ASN | ||||
| 5 | TYR | LEU | CYS | ALA | GLY | ARG | ASN | ASP | CYS | ILE | ||||
| 6 | ILE | ASP | LYS | ILE | ARG | ARG | LYS | ASN | CYS | PRO | ||||
| 7 | ALA | CYS | ARG | TYR | ARG | LYS | CYS | LEU | GLN | ALA | ||||
| 8 | GLY | MET | ASN | LEU | GLU | ALA | ARG | LYS | THR | LYS | ||||
| 9 | LYS | LYS | ILE | LYS | GLY | ILE | GLN |
Entity 2, zinc 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: DBD monomer, [U-13C; U-15N; U-2H], 165 uM; sodium chloride 100 mM; sodium phosphate 20 mM; TCEP 5 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 0.16 M; pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY - data analysis
TOPSPIN - collection
NMRPipe - processing
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts