BMRB Entry 25004
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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/BMR25004
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Sgourakis, Nikolaos; Yau, Wai-Ming; Qiang, Wei. "Modeling an in-register, parallel "iowa" a beta fibril structure using solid-state NMR data from labeled samples with rosetta" Structure 23, 216-227 (2015).
PubMed: 25543257
Assembly members:
D23N_Abeta, polymer, 26 residues, Formula weight is not available
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):
D23N_Abeta: QKLVFFAENVGSNKGAIIGL
MVGGVV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 59 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | D23N_Abeta | 1 |
Entities:
Entity 1, D23N_Abeta 26 residues - Formula weight is not available
| 1 | GLN | LYS | LEU | VAL | PHE | PHE | ALA | GLU | ASN | VAL | ||||
| 2 | GLY | SER | ASN | LYS | GLY | ALA | ILE | ILE | GLY | LEU | ||||
| 3 | MET | VAL | GLY | GLY | VAL | VAL |
Samples:
D23N_parallel: D23N_Abeta, [U-100% 13C; U-100% 15N], 25 – 100 uM
sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: . atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C spin diffusion | D23N_parallel | solid | sample_conditions_1 |
| 1D 13C PITHIRDs | D23N_parallel | solid | sample_conditions_1 |
| 1D 13C-15N REDOR | D23N_parallel | solid | sample_conditions_1 |
Software:
NA, NA - NA
NMR spectrometers:
- Varian INOVA 400 MHz
- Bruker Avance 600 MHz