BMRB Entry 17488
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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/BMR17488
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Title: Spatial structure of dimeric ErbB3 transmembrane domain
Deposition date: 2011-02-24 Original release date: 2011-05-10
Authors: Mineev, Konstantin; Arseniev, Alexander
Citation: Mineev, Konstantin; Khabibullina, Nelya; Lyukmanova, Ekaterina; Dolgikh, Dmitry; Kirpichnikov, Mikhail; Arseniev, Alexander. "Spatial structure and dimer-monomer equilibrium of the ERBB3 transmembrane domain in DPC micelles" Biochim. Biophys. Acta ., .-..
Assembly members:
ErbB3tm, polymer, 40 residues, 4703.692 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free
Entity Sequences (FASTA):
ErbB3tm: MGRTHLTMALTVIAGLVVIF
MMLGGTFLYWRGRRHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 177 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 302 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
Entities:
Entity 1, entity_1 40 residues - 4703.692 Da.
| 1 | MET | GLY | ARG | THR | HIS | LEU | THR | MET | ALA | LEU | |
| 2 | THR | VAL | ILE | ALA | GLY | LEU | VAL | VAL | ILE | PHE | |
| 3 | MET | MET | LEU | GLY | GLY | THR | PHE | LEU | TYR | TRP | |
| 4 | ARG | GLY | ARG | ARG | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
water: ErbB3tm, [U-100% 13C; U-100% 15N], 1 mM; ErbB3tm 1 mM; DPC, [U-99% 2H], 80 mM; sodium azide 1 mM; H2O 90%; D2O 10%
D2O: ErbB3tm, [U-100% 13C; U-100% 15N], 1 mM; ErbB3tm 1 mM; DPC, [U-99% 2H], 80 mM; sodium azide 1 mM; D2O 100%
sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | water | isotropic | sample_conditions_1 |
| 3D HNCA | water | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | water | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | water | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | D2O | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | water | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | D2O | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | D2O | isotropic | sample_conditions_1 |
| 3D 15N,13C-filtered, 13C-edited NOESY | D2O | isotropic | sample_conditions_1 |
| 3D 15N,13C-filtered, 13C-edited NOESY | water | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CARA v1.8.5, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
TOPSPIN v2.1, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts