BMRB Entry 36064
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36064
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Title: Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 2
Deposition date: 2017-03-10 Original release date: 2018-03-12
Authors: Liu, X.; Zhang, S.; Liu, J.; Zhang, C.
Citation: Liu, X.; Zhang, S.. "Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 2" . ., .-..
Assembly members:
Metabotropic GABA-B receptor subtype 1, polymer, 44 residues, 5412.098 Da.
Metabotropic GABA-B receptor subtype 2, polymer, 45 residues, 5147.888 Da.
Natural source: Common Name: Fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
Metabotropic GABA-B receptor subtype 1: MDSKEDEERYQKLVTENEQL
QRLITQKEEKIRVLRQRLVE
RGDA
Metabotropic GABA-B receptor subtype 2: GPLGSSVSELEQRLRDVKNT
NSRFRKALMEKENELQALIR
KLGPE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 346 |
| 15N chemical shifts | 94 |
| 1H chemical shifts | 585 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 44 residues - 5412.098 Da.
| 1 | MET | ASP | SER | LYS | GLU | ASP | GLU | GLU | ARG | TYR | ||||
| 2 | GLN | LYS | LEU | VAL | THR | GLU | ASN | GLU | GLN | LEU | ||||
| 3 | GLN | ARG | LEU | ILE | THR | GLN | LYS | GLU | GLU | LYS | ||||
| 4 | ILE | ARG | VAL | LEU | ARG | GLN | ARG | LEU | VAL | GLU | ||||
| 5 | ARG | GLY | ASP | ALA |
Entity 2, entity_2 45 residues - 5147.888 Da.
| 1 | GLY | PRO | LEU | GLY | SER | SER | VAL | SER | GLU | LEU | ||||
| 2 | GLU | GLN | ARG | LEU | ARG | ASP | VAL | LYS | ASN | THR | ||||
| 3 | ASN | SER | ARG | PHE | ARG | LYS | ALA | LEU | MET | GLU | ||||
| 4 | LYS | GLU | ASN | GLU | LEU | GLN | ALA | LEU | ILE | ARG | ||||
| 5 | LYS | LEU | GLY | PRO | GLU |
Samples:
sample_1: NaCl 100 mM; NaN3 0.02 mg/mL; PBS 20 mM; coiled-coil domain of Drosophila GABAB receptor 1, [U-99% 15N], 0.8 mM; coiled-coil domain of Drosophila GABAB receptor 2, [U-99% 15N], 0.8 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: NaCl 100 mM; NaN3 0.02 mg/mL; PBS 20 mM; coiled-coil domain of Drosophila GABAB receptor 1, [U-13C; U-15N], 0.7 mM; coiled-coil domain of Drosophila GABAB receptor 2, [U-13C; U-15N], 0.7 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
Software:
ARIA v2.3, Linge, O'Donoghue and Nilges - structure calculation
CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CcpNMR v2.3, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Agilent DD2 600 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts