BMRB Entry 31300
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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/BMR31300
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Bahri, S.; Palani, R.; Silvers, R.; Michael, B.; Lattanzi, V.; Andre, I.; Linse, S.; Griffin, R.. "High Resolution Structure of Monomorphic AB1-40 Fibrils" .
Assembly members:
entity_1, polymer, 40 residues, 4335.852 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: DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 139 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 6 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
| 3 | unit_3 | 1 |
| 4 | unit_4 | 1 |
| 5 | unit_5 | 1 |
| 6 | unit_6 | 1 |
| 7 | unit_7 | 1 |
| 8 | unit_8 | 1 |
| 9 | unit_9 | 1 |
| 10 | unit_10 | 1 |
| 11 | unit_11 | 1 |
| 12 | unit_12 | 1 |
| 13 | unit_13 | 1 |
| 14 | unit_14 | 1 |
| 15 | unit_15 | 1 |
| 16 | unit_16 | 1 |
| 17 | unit_17 | 1 |
| 18 | unit_18 | 1 |
| 19 | unit_19 | 1 |
| 20 | unit_20 | 1 |
Entities:
Entity 1, unit_1 40 residues - 4335.852 Da.
| 1 | ASP | ALA | GLU | PHE | ARG | HIS | ASP | SER | GLY | TYR | |
| 2 | GLU | VAL | HIS | HIS | GLN | LYS | LEU | VAL | PHE | PHE | |
| 3 | ALA | GLU | ASP | VAL | GLY | SER | ASN | LYS | GLY | ALA | |
| 4 | ILE | ILE | GLY | LEU | MET | VAL | GLY | GLY | VAL | VAL |
Samples:
sample_1: Amyloid-beta 1-40 fibrils, [U-13C; U-15N], 350 uM
sample_conditions_1: ionic strength: 20 mM; pH: 7.4; pressure: 1 atm; temperature: 277 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| RFDR | sample_1 | anisotropic | sample_conditions_1 |
| PDSD | sample_1 | anisotropic | sample_conditions_1 |
| PAR | sample_1 | anisotropic | sample_conditions_1 |
| ZF-TEDOR | sample_1 | anisotropic | sample_conditions_1 |
| PAIN | sample_1 | anisotropic | sample_conditions_1 |
| INEPT-TOBSY | sample_1 | anisotropic | sample_conditions_1 |
| HETCOR | sample_1 | anisotropic | sample_conditions_1 |
| NCACX | sample_1 | anisotropic | sample_conditions_1 |
| NCOCX | sample_1 | anisotropic | sample_conditions_1 |
| CONCA | sample_1 | anisotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Poky, Manthey, Tonelli, Clos II, Rahimi, Markley and Lee - chemical shift assignment
TALOS-N, Cornilescu, Delaglio and Bax - refinement
NMR spectrometers:
- Bruker AVANCE III 800 MHz