BMRB Entry 34509
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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/BMR34509
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NMR-STAR v3 text file.
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Title: Solution NMR Structure of APP TMD V44M mutant PubMed: 33232115
Deposition date: 2020-03-30 Original release date: 2020-12-04
Authors: Silber, M.; Muhle-Goll, C.
Citation: Silber, M.; Hitzenberger, M.; Zacharias, M.; Muhle-Goll, C.. "Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-secretase" ACS Chem. Neurosci. 11, 4426-4433 (2020).
Assembly members:
entity_1, polymer, 30 residues, 3102.990 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: SNKGAIIGLMVGGVVIATMI
VITLVMLKKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 106 |
| 15N chemical shifts | 29 |
| 1H chemical shifts | 231 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 30 residues - 3102.990 Da.
| 1 | SER | ASN | LYS | GLY | ALA | ILE | ILE | GLY | LEU | MET | |
| 2 | VAL | GLY | GLY | VAL | VAL | ILE | ALA | THR | MET | ILE | |
| 3 | VAL | ILE | THR | LEU | VAL | MET | LEU | LYS | LYS | LYS |
Samples:
sample_1: APP V44M 500 uM
sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-1H-NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2.1, Brunger A. T. et.al. - refinement
ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis v2.4.2, CCPN, Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker CP TCI 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts