BMRB Entry 30147
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30147
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Title: Notch1 transmembrane and associated juxtamembrane segment
Deposition date: 2016-07-25 Original release date: 2017-05-04
Authors: Deatherage, C.; Lu, Z.; Kroncke, B.
Citation: Deatherage, C.; Ma, S.; Kronke, B.; Smith, J.; Lu, Z.; Voehler, M.; McFeeters, R.; Sanders, C.. "Structural and Biochemical Differences Between the Transmembrane Domains of Notch1 and the Amyloid Precursor Protein" . ., .-..
Assembly members:
entity_1, polymer, 59 residues, 6849.948 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
Entity Sequences (FASTA):
entity_1: MGHHHHHHVQSETVEPPPPA
QLHFMYVAAAAFVLLFFVGC
GVLLSRKRRRQHGQLWFPE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 137 |
| 15N chemical shifts | 46 |
| 1H chemical shifts | 45 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 59 residues - 6849.948 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | VAL | GLN | ||||
| 2 | SER | GLU | THR | VAL | GLU | PRO | PRO | PRO | PRO | ALA | ||||
| 3 | GLN | LEU | HIS | PHE | MET | TYR | VAL | ALA | ALA | ALA | ||||
| 4 | ALA | PHE | VAL | LEU | LEU | PHE | PHE | VAL | GLY | CYS | ||||
| 5 | GLY | VAL | LEU | LEU | SER | ARG | LYS | ARG | ARG | ARG | ||||
| 6 | GLN | HIS | GLY | GLN | LEU | TRP | PHE | PRO | GLU |
Samples:
sample_1: DHPC/DMPC bicelle 150 mg/mL; DTT 2 mM; EDTA 1 mM; Notch1, [U-99% 15N], 350 uM; imidazole 65 mM
sample_2: DHPC/DMPC bicelle 150 mg/mL; Notch1, [U-99% 13C; U-99% 15N], 500 uM
sample_3: DHPC/DMPC 150 mg/mL; DTT 2 mM; EDTA 1 mM; Notch1, [U-99% 13C; U-99% 15N], 500 uM; imidazole 65 mM
sample_conditions_1: ionic strength: 65 mM; pH: 5.5; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_3 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_3 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment, peak picking
TALOS, Cornilescu, Delaglio and Bax - chemical shift calculation
X-PLOR, Brunger - refinement
NMR spectrometers:
- Bruker AvanceIII 900 MHz
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts